Isakhi Se-Fluorinated Benzonitrile Esetshenziselwa Ama-TrkA Kinase Inhibitors Anamandla, Imithi Ye-CNS, Nezolimo Ezithuthukile: 5-Cyano-2-fluorobenzotrifluoride CAS# 67515-59-7

5-Cyano-2-fluorobenzotrifluoride (CAS# 67515-59-7), eyaziwa nangokuthi i-4-fluoro-3-(trifluoromethyl)benzonitrile, i-4-fluoro-3-(trifluoromethyl)benzenecarbonitrile, i-2-fluoro-5-cyanobenzotrifluoride, noma i-α,α,α,4-tetrafluoro-m-tolunitrile, iyi-trifluoromethylated fluorobenzonitrile enefomula yemolekyuli C₈H₃F₄N kanye nesisindo semolekyuli esingu-189.11 g/mol. Isakhiwo sayo semolekyuli sinesisekelo se-benzonitrile esine-athomu ye-fluorine endaweni yesi-4 kanye neqembu le-trifluoromethyl (–CF₃) endaweni yesi-3.

Leli phethini elinembayo lokufaka esikhundleni kwe-4-F, 3-CF₃—elihlukanisa kwezinye izinhlobo ze-fluorinated benzonitrile regioisomers—lakha indawo ehlukile ye-elekthroniki kanye nesimo se-steric esithinta ngqo ukusebenza kwayo ku-nucleophilic aromatic substitution kanye ne-palladium-mediated cross-coupling reactions. Le nhlanganisela ivela njengempushana emhlophe noma ecishe ibe mhlophe eyikristalu noma iqinile ene-melting point engu-66–70°C, i-boiling point engu-195°C (202.5 ± 35.0°C ku-760 mmHg ebikezelwe), i-density engu-1.4 g/cm³, i-refractive index engu-n20D 1.44, kanye ne-flash point engu-68°C. Ayincibiliki emanzini kodwa iyancibilika kuma-organic solvents afana ne-methanol, i-ethanol, i-ether, ne-methylene chloride. Le nhlanganisela ivamise ukuhlinzekwa nge-purity engu-≥98% (GC) futhi kufanele igcinwe ku-2–8°C esitsheni esivalwe ngokuqinile esivikelwe ekukhanyeni nasezintweni ezinomswakama. Ngaphansi kwe-GHS, ihlukaniswa negama lesignali elithi "Ingozi" (H301+H311+H331: Inobuthi uma igwinya, uma ithinta isikhumba noma uma ihogela) futhi idinga izinyathelo zokuphepha zaselabhorethri ezijwayelekile ngesikhathi sokuphatha.

I-5-Cyano-2-fluorobenzotrifluoride iyisisekelo esibalulekile esinembile se-fluorinated benzonitrile esihlinzeka ngephethini efanele ye-4-fluoro-3-trifluoromethyl substitution edingekayo kuma-TrkA kinase inhibitors anamandla—iqembu lamakhemikhali anamazinga e-IC₅₀ abonisiwe angu-1.95–4.20 nM. Isebenza njenge-intermediate ebalulekile ekwenziweni kwezidakamizwa ezilwa nokuvuvukala kanye nezingqamuzana zomdlavuza, izinto ezisebenza ku-CNS, kanye namakhemikhali ezolimo. Inhlanganisela eyingqayizivele yale khemikhali—i-nitrile handle yokwenza i-amidation nokunciphisa, i-athomu ye-fluorine evumela i-SNAr kanye ne-cross-coupling, kanye neqembu le-trifluoromethyl elikhulisa i-lipophilicity nokuzinza kwe-metabolic—iyibeka njengesisekelo esingagwemeki kumakhemikhali yesimanje yemithi kanye nokuthuthukiswa kwezidakamizwa. Lesi sihloko sihlaziya ngokuhlelekile izici ezibalulekile, izindawo eziyinhloko zokusetshenziswa, ukwakheka kwemakethe yomhlaba, isimo sokulawula, kanye nokubheka kwesikhathi esizayo kwale fluorinated benzonitrile ebalulekile.

Isidingo semakethe se-5-cyano-2-fluorobenzotrifluoride (CAS# 67515-59-7) sigxile emikhakheni emine eyinhloko: ucwaningo nokuthuthukiswa kwemithi kanye nokwenziwa kwe-kinase inhibitor (cishe u-45–50% wokusetshenziswa komhlaba wonke), ukuthuthukiswa kwemithi ye-CNS (cishe u-20–25%), ukuthuthukiswa kwe-agrochemical (cishe u-15–20%), kanye nezinto ezikhethekile kanye nezinhlelo zokuhlaziya (cishe u-10–15%). Iphesenti layo elinembile lokufaka esikhundleni u-4-F, 3-CF₃ kanye nokusetshenziswa okubonisiwe ekwenziweni kwe-TrkA inhibitor enamandla kuyizinto eziyinhloko ezishukumisa ukukhula kwesidingo okuqhubekayo.

I-5-Cyano-2-fluorobenzotrifluoride iyisakhi esibalulekile sokuhlanganiswa kwama-TrkA kinase inhibitors anamandla (IC₅₀ 1.95–4.20 nM). Indlela ye-tropomyosin receptor kinase A (TrkA) iyindawo yokwelapha eqinisekisiwe yezinhlungu, ukuvuvukala, kanye ne-oncology.

I-phethini yokufaka esikhundleni ethile ye-4-fluoro-3-trifluoromethyl yekhompawundi ibalulekile ukuze kuzuzwe amandla aphezulu. Ukungcola kwe-regioisomeric kuma-benzonitrile ane-fluorine kungaphazamisa imikhankaso yokuvimbela i-kinase, futhi ama-analog ajwayelekile e-3-fluoro-4-(trifluoromethyl) ashintsha amapharamitha e-elekthroniki, okubangela ukwehluleka kwe-cross-coupling. Ukufaka esikhundleni nge-isomer eseduze kakhulu kungashintsha ngokuphelele indawo ye-elekthroniki kanye nesimo se-steric, okuthinta ngqo ukusebenza kwe-SNAr kanye nokusabela kwe-cross-coupling.

Le nhlanganisela iphinde isetshenziswe kakhulu ekuhlanganisweni kwemithi elwa nokuvuvukala kanye nemithi elwa nomdlavuza, ithuthukisa ukusebenza kahle kokwelapha, kanye nasekuthuthukisweni kwezinhlanganisela ezisebenza ku-CNS. I-LogP yayo evumelanayo elinganiselwa ku-2.99 kanye nendawo yobuso obukhulu be-polar engu-23.8 Ų kuhle ekungeneni ku-CNS, okwenza ibe yigugu ekuthuthukisweni kwemithi yokuphazamiseka kwemizwa.

I-5-Cyano-2-fluorobenzotrifluoride isebenza njengesakhi esibalulekile ekwakhiweni kwezinhlanganisela eziqondiswe ezifweni zezinzwa. Isimo somzimba esivumayo sale nhlanganisela—ukuthanda amafutha okulingene kanye nendawo encane ekhanyayo—kuxhasa ukungena kwengqondo, okuyisidingo esibalulekile semithi yezinzwa. Isetshenziswa ekuthuthukisweni kwemithi yokwelapha yokulawula ubuhlungu, izifo zokuguga kwemizwa, kanye nokuphazamiseka kwengqondo.

I-5-Cyano-2-fluorobenzotrifluoride isetshenziswa ekwakheni imithi yezolimo, kuhlanganise nezibulala-zinambuzane nemithi yokubulala ukhula, inikeza izixazululo eziphumelelayo zokuvikela izitshalo ngenkathi inciphisa umthelela kwezemvelo. Le nhlanganisela ibonisa imiphumela enobuthi kwezinye izinambuzane, isikhunta, namagciwane, futhi inamandla okubulala ukhula. Izinto ezifakwa esikhundleni i-fluorine ne-trifluoromethyl zikhulisa ukuqina kwe-metabolic nokuqhubeka kwemvelo kwezithako ezisebenzayo zemithi yezolimo, kuyilapho iqembu le-nitrile linikeza isibambo sokuqhubeka nokwenziwa kwemisebenzi.

I-5-Cyano-2-fluorobenzotrifluoride isetshenziswa ekukhiqizweni kwama-polymer akhethekile nezinto zokwakha, okunikeza ukuqina kokushisa okuthuthukisiwe kanye nokumelana namakhemikhali ezinhlelweni zama-coatings nama-adhesives. Le nhlanganisela idlala indima ebalulekile ocwaningweni lwezinhlanganisela ze-fluorinated, okufaka isandla entuthukweni ye-green chemistry nezindlela zokwenziwa okusimeme. Iphinde isetshenziswe njengendlela ejwayelekile kumasu okuhlaziya afana ne-chromatography, isiza abacwaningi ukukala nokuhlaziya izingxube eziyinkimbinkimbi ngokunemba.

I-5-Cyano-2-fluorobenzotrifluoride (CAS# 67515-59-7) iyi-fluorinated benzonitrile enembayo enenani elisuselwa ekusabeleni okuhlukile kwe-nitrile, i-fluorine, kanye ne-trifluoromethyl substituents.

Amapharamitha abalulekile omzimba ahlanganisa:

I-reactivity yale nhlanganisela ichazwa yizibambo zayo ezintathu ezimile ngendlela ehlukene: iqembu le-nitrile eliku-C1 lenza kube nokwenzeka ukuhlanjululwa nge-hydrolysis kube i-carboxylic acid, ukuncishiswa kube i-amine, kanye nokuhlangana kube ama-heterocycles; i-athomu ye-fluorine eku-C4 yenza i-ring ye-aromatic isebenze ekufakweni kwe-nucleophilic aromatic substitution (SNAr) futhi isebenza njengendawo yokuxhumana okwenziwa yi-palladium-catalyzed cross-coupling reactions (Suzuki-Miyaura, Buchwald-Hartwig); kanti iqembu le-trifluoromethyl eliku-C3 linikeza amandla anamandla okudonsa ama-electron (electron-withdrawing) elawula indawo ye-electronics ye-ring futhi landise i-lipophilicity kanye nokuzinza kwe-metabolic kwezinto ezisetshenziswayo ezilandelayo. Iphetheni lokufaka i-4-fluoro-3-trifluoromethyl lidala indawo ehlukile ye-electronics kanye nesimo se-steric esithinta ngqo ukusebenza kwezinguquko ezibalulekile njenge-SNAr kanye ne-cross-couplings. Isimo se-crystalline solid emazingeni okushisa asendaweni senciphisa ukuhlanzwa nge-recrystallization kanye nokugcinwa.

Uhlelo lokuhlinzeka lomhlaba wonke lwe-5-cyano-2-fluorobenzotrifluoride (CAS# 67515-59-7) lunephathini labakhiqizi abakhethekile bamakhemikhali e-fluorochemical, abasabalalisi bamakhemikhali ocwaningo bamazwe ngamazwe, kanye nabakhiqizi baseShayina abasebenza ezigabeni ezihlukene zemakethe. Njengoba kuyisakhi esikhethekile se-fluorinated benzonitrile esisetshenziswayo ekwakheni ezinye izinto, hhayi impahla yokuthengisa ngobuningi, imakethe ibonakala ngenani elilinganiselwe labahlinzeki abasebenza ocwaningweni lwezidakamizwa, ukuthuthukiswa kwemithi yezolimo, kanye nezinhlelo zesayensi yezinto.

Ezingxenyeni zocwaningo lomhlaba wonke kanye nezinga lokuhlanzeka okuphezulu, abahlinzeki abakhulu bamazwe ngamazwe bahlanganisa i-Tokyo Chemical Industry (TCI), enikeza le nhlanganisela ngekhwalithi ephezulu kuno-98.0% (GC) ngaphansi kwekhodi yomkhiqizo F0979, enezincazelo ezihlanganisa ukubukeka okuyimpuphu emhlophe kuya kokucishe kube mhlophe kuya kukristalu, izinga lokuncibilika lika-66.0–70.0°C, izinga lokubila lika-195°C, nokuncibilika ku-methanol, ngokugcinwa endaweni yokushisa yekamelo (kunconywa endaweni epholile futhi emnyama, <15°C) kanye nokuhlukaniswa kwe-GHS njengeDanger (H301+H311+H331). I-Thermo Fisher Scientific (Alfa Aesar) inikeza le nhlanganisela ngekhwalithi engu-98+% ngaphansi kwenombolo yekhathalogi i-AAA15439-06, enezinga lokuncibilika lika-67–69°C futhi isetshenziswa njenge-intermediate yemithi. I-Chem-Impex International inikeza le nhlanganisela ngekhwalithi engu-≥98% (GC) ngaphansi kwenombolo yekhathalogi 46081, enesisindo samangqamuzana esingu-189.11 g/mol, izinga lokuncibilika lika-66–70°C, nezimo zokugcina ku-2–8°C, ichaza ukuthi isetshenziswa kabanzi ekuthuthukisweni kwemithi, amakhemikhali ezolimo, isayensi yezinto, kanye nekhemistri yokuhlaziya. I-Santa Cruz Biotechnology inikeza le nhlanganisela njenge-5-Cyano-2-fluorobenzotrifluoride ngaphansi kwenombolo yekhathalogi sc-262587 (iphakethe elingu-5 g). I-AK Scientific (AKSci) inikeza le nhlanganisela ngaphansi kwekhodi yomkhiqizo X8883. I-BenchChem inikeza le nhlanganisela ngekhwalithi engu-≥98% ngaphansi kwenombolo yekhathalogi B1295485 ngosayizi wamaphakethe ajwayelekile angu-5 g, 25 g, 100 g, kanye ne-bulk custom, igcizelela indima yayo ekuhlinzekeni ngephethini yokufaka esikhundleni engu-4-F, 3-CF₃ enembile edingekayo kuma-inhibitor e-TrkA anamandla (IC₅₀ 1.95–4.20 nM). I-CymitQuimica inikeza le nhlanganisela ngaphansi kwe-CAS 67515-59-7. I-EvitaChem inikeza le nhlanganisela ngaphansi kwenombolo yekhathalogi EVT-306714 yokusetshenziswa ocwaningweni olungelona olwabantu kuphela. Abanye abahlinzeki bamakhemikhali ocwaningo banikeza le nhlanganisela ngekhwalithi engu-≥97–98% yokusetshenziswa elabhorethri. Laba bahlinzeki bakhonza imiphakathi yemithi, i-biotechnology, kanye nocwaningo lwezemfundo ngemikhiqizo ehlangabezana nezincazelo eziqinile zekhwalithi.

Ezingxenyeni zezimboni kanye nokukhiqizwa okukhulu, i-XinChem ingumkhiqizi nomhlinzeki othembekile we-5-cyano-2-fluorobenzotrifluoride yokuhlanzeka okuphezulu evela e-China, enikeza le nhlanganisela ngamazinga okhwalithi aqinile ukuze isetshenziswe ekuhlanganiseni kwe-TrkA kinase inhibitor, ukuthuthukiswa kwemithi ye-CNS, kanye nokukhiqizwa kwezolimo. I-XinChem inikeza le nhlanganisela njengento eqinile emhlophe kuya kokucishe kube mhlophe enemibhalo yokhwalithi ephelele, izitifiketi zokuhlaziya (COA) eziqondene neqembu ngalinye, ukupakisha okungashintshwa, kanye nokukhiqizwa okuhambisana ne-REACH, ISO 9001, kanye ne-GMP emhlabeni wonke. Inkampani igcizelela ukuthi le nhlanganisela iyinto eqinile engenambala kuya kokuphuzi okukhanyayo, ayincibiliki emanzini ezingeni lokushisa legumbi kodwa iyancibilika kuzincibilikisi ze-organic ezifana ne-ethanol, i-ether, ne-methylene chloride, futhi inobuthi kwezinye izinambuzane, isikhunta, namagciwane, inemiphumela yokubulala ukhula. I-XinChem inikeza ukuhlanganiswa okwenziwe ngokwezifiso kanye nokukhiqizwa ngekhontrakthi ngokukhulisa okuguquguqukayo kusuka ku-R&D kuya kumanani okuhweba. Abanye abahlinzeki besifunda bangase banikeze le nhlanganisela ngamazinga ahlukene okuhlanzeka kanye nezinketho zokupakisha, kodwa i-XinChem ihluka ngemibhalo yayo yokhwalithi, ukulawulwa kwe-regioisomeric, kanye nokuhlinzeka okuthembekile.

I-global 5-cyano-2-fluorobenzotrifluoride market ibonisa izici zezifunda ezihlukene, ngokukhiqizwa okugxile e-Asia-Pacific (ikakhulukazi e-China) kanye nokusetshenziswa okusatshalaliswa eNyakatho Melika, eYurophu, nasezifundeni zase-Asia-Pacific, okuhambisana nezimboni zemithi, ezolimo, kanye nesayensi yezinto kulezi zifunda. Ngokusho kwe-Global Market Report ye-5-Cyano-2-fluorobenzotrifluoride (CAS 67515-59-7), idatha ephelele iyatholakala emhlabeni wonke nasezifundeni ezihlanganisa iYurophu, i-Asia, iNyakatho Melika, neLatin America, okuhlanganisa izitayela zemakethe, abakhiqizi, abathengi, isimo sokukhiqiza, ukuhlaziywa kwesidingo nokunikezwayo, ukuhlaziywa kwentengo, kanye nesimo sokungeniswa nokuthunyelwa kwamanye amazwe, kanye nezibikezelo ezifinyelela kunyaka ka-2029.

Isifunda sase-Asia-Pacific sesivele saba yisizinda esibalulekile sokukhiqiza i-5-cyano-2-fluorobenzotrifluoride, kanti i-China inabakhiqizi nabahlinzeki abaningi okubalwa kubo i-XinChem. Izinzuzo zokuncintisana zalesi sifunda zihlanganisa izindleko eziphansi zokukhiqiza, ingqalasizinda yamakhemikhali eseyakhiwe, kanye nokuba seduze nezimboni zomuthi nezolimo ezikhula ngokushesha. Abahlinzeki kulesi sifunda banikela ngale nhlanganisela ngamazinga ahlukene okuhlanzeka (ngokuvamile angu-97–99%) nezinketho zokupakisha, basebenzele izimakethe zasekhaya nezokuthumela kwamanye amazwe. Ukukhula kocwaningo nokuthuthukiswa kwezemithi, ukuthuthukiswa kwezivimbeli ze-TrkA, kanye nemikhakha yezolimo e-China, e-India, e-Japan nase-South Korea kuyaqhubeka nokuqhuba ukukhula kokusetshenziswa kwesifunda. Le nhlanganisela ihlukaniswa njenge-intermediate yemithi kanye ne-intermediate yokuhlanganisa izinto eziphilayo emakethe yase-China, kanti abahlinzeki abaningi banikela ngomkhiqizo ngosayizi wokupakisha osukela ku-5 g kuya ku-100 g kanye namanani amakhulu.

INyakatho Melika iseyimakethe ebalulekile ye-5-cyano-2-fluorobenzotrifluoride yekhwalithi ephezulu kanye nezinga locwaningo, eqhutshwa yisidingo esivela embonini yezemithi, izinkampani ze-biotechnology, kanye nezikhungo zocwaningo zemfundo. I-United States inezingi izinhlangano zocwaningo, izinkampani zezemithi, kanye nezinhlangano zocwaningo ezinkontileka ezidinga izingqimba ze-fluorinated benzonitrile zekhwalithi ephezulu zokuthuthukiswa kwe-TrkA inhibitor, ukutholakala kwemithi yokwelapha ye-CNS, kanye nokutholakala kwezidakamizwa ze-kinase inhibitor. I-Thermo Fisher Scientific, i-Chem-Impex International, i-Santa Cruz Biotechnology, kanye ne-AK Scientific zisebenzela imakethe yaseNyakatho Melika ngamanethiwekhi okusabalalisa abanzi. Uhlaka lwemithetho olusungulwe kahle lwesifunda, okuhlanganisa nokuqondisa kwe-FDA kucwaningo nokuthuthukiswa kwezemithi, lusekela isidingo samakhemikhali ocwaningo ezinga eliphezulu kanye nezinto ezisetshenziswayo kwezemithi.

IYurophu ibonakala ngezimfuneko eziqinile zokulawula, okuhlanganisa ukubhaliswa kwe-REACH, kanye nokugxila okunamandla ekhwalithini nasekusimameni ocwaningweni lwemithi namakhemikhali. Izinkampani zemithi zaseYurophu, abathuthukisi bemithi yezolimo, kanye nezikhungo zocwaningo zidinga izingxenye zokwakha ze-fluorinated benzonitrile zekhwalithi ephezulu ezinemibhalo ephelele. I-CymitQuimica isebenzela imakethe yaseYurophu ngokutholakala kwesitoko. Le nhlanganisela ibhaliswe ngaphansi kwe-REACH ngenombolo ye-EINECS engu-266-715-4. Imikhakha eqinile yemithi nobuchwepheshe bezinto eziphilayo yalesi sifunda isekela isidingo esingaguquki sezinto eziphakathi ze-fluorinated zekhwalithi ephezulu.

I-Japan imelela imakethe ekhethekile lapho i-5-cyano-2-fluorobenzotrifluoride ihlinzekwa yi-Tokyo Chemical Industry (TCI) nabanye abasabalalisi ocwaningweni lwezemithi, ukuthuthukiswa kwe-kinase inhibitor, kanye nezicelo zamakhemikhali acolekileyo.

Njenge-toxic fluorinated benzonitrile intermediate, i-5-cyano-2-fluorobenzotrifluoride (CAS# 67515-59-7) ingaphansi kokugadwa komthetho emnothweni omkhulu womhlaba. Ukuhambisana nemithetho efanele kubalulekile ukuze kufinyelelwe emakethe nokuhweba.

I-5-Cyano-2-fluorobenzotrifluoride ihlukaniswa negama lesignali elithi “Ingozi”. Izitatimende zengozi zifaka i-H301+H311+H331 (Enobuthi uma igwinywa, ithinta isikhumba noma ihogwa), i-H315 (Idala ukucasuka kwesikhumba), kanye ne-H319 (Idala ukucasuka okukhulu kwamehlo). Le nhlanganisela ihlukaniswa njenge-Acute Tox. 3 (Ngomlomo), Acute Tox. 3 (Esikhumbeni), Acute Tox. 3 (Ngokuhogela), Skin Irrit. 2, kanye ne-Eye Irrit. 2.

Izitatimende zokuphepha zifaka i-P261 (Gwema ukuphefumula uthuli/intuthu/igesi/umusi/umhwamuko/isifutho), i-P270 (Ungadli, ungaphuzi noma ungabhemi lapho usebenzisa lo mkhiqizo), i-P271 (Sebenzisa ngaphandle kuphela noma endaweni enomoya ohamba kahle), i-P264 (Geza isikhumba ngokuphelele ngemuva kokuphatha), i-P280 (Gqoka amagilavu okuzivikela/izingubo zokuzivikela/izinto zokuvikela amehlo/izinto zokuvikela ubuso), i-P301+P310+P330 (UMA KUGWINYIWE: Shayela ngokushesha ISIKHUNGO SOMUTHI udokotela; hlambulula umlomo), i-P302+P352+P312 (UMA KUSESIKHUMBENI: Geza ngamanzi amaningi; shayela ISIKHUNGO SOMUTHI/udokotela uma uzizwa ungaphathekile kahle), i-P304+P340+P311 (UMA KUPHEFUMULWE: Khipha umuntu uyise emoyeni omusha futhi umgcine ekhululekile ukuze aphefumule; shayela ISIKHUNGO SOMUTHI/udokotela), i-P305+P351+P338 (UMA KUSEMEHLWENI: Hlanza ngokucophelela ngamanzi imizuzu embalwa; khipha amalensi okuxhumana uma ekhona futhi kulula ukukwenza; qhubeka uhlanza), i-P332+P313 (Uma kwenzeka ukucasuka kwesikhumba: Thola iseluleko/ukunakekelwa kwezempilo), i-P337+P313 (Uma ukucasuka kwamehlo kuqhubeka: Thola iseluleko/ukunakekelwa kwezempilo), i-P361+P364 (Khipha ngokushesha zonke izingubo ezingcolile futhi uzigeze ngaphambi kokuphinda uzisebenzise), i-P403+P233 (Gcina endaweni enomoya ohamba kahle; gcina isitsha sivalwe ngokuqinile), i-P405 (Gcina kukhiyiwe), kanye ne-P501 (Lahla okuqukethwe/isitsha endaweni yokulahla imfucuza evunyelwe).

Le nhlanganisela kufanele igcinwe ku-2–8°C (noma ezingeni lokushisa legumbi endaweni epholile futhi emnyama, kunconywa <15°C) esitsheni esivalwe ngokuqinile esivikelwe ekukhanyeni nasezintweni ezinomswakama. Izinto zokuzivikela zomuntu siqu ezifaka amagilavu amelana namakhemikhali, izingubo zokuzivikela, izinto zokuvikela amehlo, kanye nezinto zokuvikela ubuso kufanele zigqokwe ngesikhathi sokuphatha, futhi imisebenzi kufanele yenziwe endaweni enomoya omuhle noma ku-fume hood.

I-5-Cyano-2-fluorobenzotrifluoride kufanele igcinwe ku-2–8°C (noma ezingeni lokushisa legumbi endaweni epholile futhi emnyama, kunconywa <15°C) esitsheni esivalwa ngokuqinile esivikelwe ekukhanyeni nasezintweni ezingena emanzini. Inhlanganisela izinzile ngaphansi kwezimo zokugcina ezinconywayo kodwa kufanele igcinwe kude neziqhumisi ezinamandla, ama-asidi anamandla, nezisekelo. Isikhathi sokuphila ngokuvamile siyiminyaka emi-2 uma igcinwe kahle.

E-European Union, inhlanganisela kufanele ihambisane nezidingo zokubhaliswa kwe-REACH zokungenisa nokusetshenziswa. Inhlanganisela inenombolo ye-EINECS engu-266-715-4 kanye nenombolo ye-MDL engu-MFCD00061284. Abakhiqizi nabahlinzeki kufanele banikeze ama-Safety Data Sheets (SDS) aphelele futhi bagcine imibhalo efanele.

E-United States, i-5-cyano-2-fluorobenzotrifluoride ihloselwe ukusetshenziswa ocwaningweni nokuthuthukiswa kuphela futhi ayihloselwe ukusetshenziswa kwezokwelapha, ukudla, izimonyo, noma abathengi ngaphandle uma kushiwo ngokucacile okunye. Ezinhlelweni zokusetshenziswa kwezidakamizwa eziphakathi, abakhiqizi kufanele bahambisane nemithetho efanele ye-FDA kanye namazinga ekhwalithi. Le nhlanganisela ayisiyo into elawulwayo futhi ayilawulwa yi-DEA.

I-5-Cyano-2-fluorobenzotrifluoride ibalwa njengempahla eyingozi ekuthuthweni kwamazwe ngamazwe ngaphansi kwe-UN 3439 (Ama-nitrile, anobuthi, aqinile, n.o.s.), Ikilasi Lengozi 6.1, Iqembu Lokupakisha III. Ukupakisha okufanele, ukulebula, kanye namadokhumenti kuyadingeka ukuze kuthunyelwe ngokuhambisana ne-International Maritime Dangerous Goods Code (IMDG Code) kanye namazinga e-IATA/ADR ezinto ezinobuthi. Ikhodi ye-HS yaleli khompawundi yi-29269090 (ama-khompawundi ane-nitrile-function). Leli khompawundi ngokuvamile lithunyelwa ezingeni lokushisa elijwayelekile ngokuvikelwa okufanele ekukhanyeni nasezintweni ezinomswakama, kuhambisana namadokhumenti okuphepha kanye nokulebula okufanele.

Umbono wemakethe we-5-cyano-2-fluorobenzotrifluoride muhle, usekelwa izinto ezimbalwa ezibalulekile zokukhula kuzo zonke izingxenye zayo eziyinhloko zokusetshenziswa. Nakuba le nhlanganisela iseyisakhi esikhethekile se-fluorinated benzonitrile, indima yayo ebalulekile ekwakhiweni kwe-TrkA inhibitor enamandla kanye nokusetshenziswa kwayo ekuthuthukisweni kwemithi ye-CNS kanye nezolimo kuyibeka endaweni yokukhula okuzinzile eminyakeni ezayo.

Izinto ezibalulekile zokukhula zihlanganisa:

Ukuthuthukiswa okuqhubekayo kwama-TrkA inhibitor ezinhlungwini, ukuvuvukala, kanye ne-oncology kuholela ekudingekeni kwezingqamuzana ezinhle ezingu-4-F, 3-CF₃ ezisetshenziswayo ezinika amandla aphezulu (IC₅₀ 1.95–4.20 nM). Ukungcola kwe-regioisomeric kuma-fluorinated benzonitriles kuphazamisa imikhankaso ye-kinase inhibitor, okwenza iphethini efanele yokufaka esikhundleni ye-5-cyano-2-fluorobenzotrifluoride ibaluleke ekutholeni imiphumela yokwakhiwa okungaguquguquki.

Isidingo esikhulayo sokwelashwa kwezifo zemizwa yezinzwa—okuhlanganisa ukuphathwa kwezinhlungu, izifo zokuguga kwemizwa yezinzwa, kanye nokuphazamiseka kwengqondo—kushayela ukusetshenziswa kwe-5-cyano-2-fluorobenzotrifluoride njengesakhi esibalulekile sezinto ezisebenza ku-CNS. I-LogP (~2.99) evumayo yalesi sakhi kanye nendawo yobuso obukhulu be-polar (23.8 Ų) kusekela ukungena kwengqondo, okuyisidingo esibalulekile semithi yokwelapha i-CNS.

Isidingo esikhulayo emhlabeni wonke sezibulala-zinambuzane nezibulala-khula ezintsha—esishayelwa yisidingo esikhulayo sokukhiqiza ukudla kanye nokuthuthukiswa kwezolimo ezikhethekile nezinobungani bemvelo—kusekela ukusetshenziswa kwe-5-cyano-2-fluorobenzotrifluoride njengesakhi esibalulekile sezithako ezisebenzayo kwezolimo. Lesi sakhi sikhombisa imiphumela enobuthi kwizinambuzane ezithile, isikhunta, namagciwane, kanye nomsebenzi wokubulala ukhula.

Ukugcizelelwa okukhulayo kokufakwa kwe-fluorine ekwakhiweni kwezidakamizwa—cishe u-20–25% wemithi edayiswayo iqukethe i-fluorine—kushayela isidingo sezingqamuzana ze-benzonitrile ezinamakhemikhali e-fluorinated eziguquguqukayo. Iqembu le-trifluoromethyl likhulisa i-lipophilicity nokuzinza kwe-metabolic, kuyilapho i-athomu ye-fluorine ivumela i-SNAr kanye ne-cross-coupling ukuze kwenziwe umsebenzi wesigaba sakamuva.

Imakethe ekhulayo yamapholima akhethekile, ama-coatings, nama-adhesives anokuzinza okuthuthukisiwe kokushisa kanye nokumelana namakhemikhali idala amathuba engeziwe ale khompawundi njengebhlokhi yokwakha ene-fluorine yezinhlelo zokusebenza zesayensi yezinto.

Izinselelo kanye nokucatshangelwa:

Ukuhlukaniswa kwale nhlanganisela njenge-Acute Tox. 3 (H301+H311+H331) kudinga izinyathelo zokuphepha eziqinile ngesikhathi sokusebenza nokugcinwa, futhi kungase kunciphise ukusetshenziswa kwayo kwezinye izinhlelo zokusebenza.

Imithetho eqinisa kakhulu yezemithi namakhemikhali ingase idinge ukutshalwa kwezimali okuqhubekayo ezinhlelweni zekhwalithi kanye nemibhalo.

Imakethe ibhekene nokuncintisana okuvela kwezinye izinhlobo ze-fluorinated benzonitrile regioisomers (isb., 3-fluoro-4-(trifluoromethyl)benzonitrile) kanye nezinye izinto eziphakathi ezinesimo sokuphendula esifanayo. Iphetheni yokufaka esikhundleni ye-4-fluoro-3-trifluoromethyl idala indawo ehlukile ye-elekthroniki engenakushintshwa kalula ngaphandle kokwethula izingozi ezilinganisekayo ekuphenduleni nasekusebenzeni kwezinto eziphilayo.

Njengengxenye yokwakha i-fluorinated benzonitrile ekhethekile, imakethe ye-5-cyano-2-fluorobenzotrifluoride incane kunaleyo yamakhemikhali ajwayelekile.

Ukuze uphumelele kule makethe eguqukayo, abahlinzeki kufanele bagxile ekhwalithini yomkhiqizo (ikakhulukazi ukuhlanzeka kwe-regioisomeric nokungaguquguquki phakathi kwamaqembu), ukuthembeka kochunge lwempahla, ukuhambisana nemithetho, kanye nokuhlinzeka ngokusabela kwabathengi. Izinkampani ezinganikela ngemikhiqizo yekhwalithi ephezulu, izinketho zokupakisha eziguquguqukayo, kanye nokusekelwa kwezobuchwepheshe emkhakheni wezemithi, ezolimo, kanye nesayensi yezinto zokwakha zizothola ithuba lokuthola isidingo esikhulayo.

I-CAS 67515-59-7 yi-5-cyano-2-fluorobenzotrifluoride, eyaziwa nangokuthi i-4-fluoro-3-(trifluoromethyl)benzonitrile. Iyisakhi sokwakha i-benzonitrile ene-fluorine enembile.

Isetshenziswa njenge-intermediate ebalulekile yezivimbeli ze-TrkA kinase, izinto ezisebenza ku-CNS, imithi elwa nokuvuvukala kanye nomdlavuza, imikhiqizo yezolimo, kanye nezinto ezikhethekile.

Le phethini yokufaka esikhundleni idala indawo ethile ye-electroniki ne-steric esekela amandla aphezulu kuzivimbeli ze-TrkA futhi yenza kube nokuthembeka kuma-SNAr kanye nokusabela kokuhlanganisa. Ama-regioisomer asondelene nawo angashintsha ukusabela kanye nomsebenzi webhayoloji.

Gcina ku-2–8°C esitsheni esivalwe ngokuqinile esivikelwe ekukhanyeni nasezintweni ezingcolile. Ukugcinwa ezingeni lokushisa legumbi endaweni epholile, emnyama engaphansi kuka-15°C kungase futhi kunconywe abanye abahlinzeki.

Yebo. Ihlukaniswa njengeyingozi ngaphansi kwe-GHS, ene-H301+H311+H331 (inobuthi uma igwinya, ithinta isikhumba, noma ihogwa), H315, kanye ne-H319. Kufanele iphathwe ngezinto ezifanele zokuzivikela komuntu endaweni enomoya omuhle.

I-Shanghai XinChem Co., Ltd. (XinChem) ingumhlinzeki ohamba phambili emhlabeni wamakhemikhali aphilayo kanye nezingqamuzana zokwakha ezine-fluorine. Inkampani izinikele ekuhlangabezaneni nezidingo ezintsha zezimboni zemithi, ezolimo, kanye namakhemikhali acwebile. Ngokusebenzisa ulwazi olubanzi kanye namakhono okukhiqiza athuthukile, i-XinChem ihlinzeka nge-5-Cyano-2-fluorobenzotrifluoride (CAS# 67515-59-7) yekhwalithi ephezulu kumakhasimende emhlabeni wonke.

Njengomkhiqizi nomhlinzeki othembekile ozinze e-China, i-XinChem ihlanganisa amanani ancintisanayo, ukuhlinzeka okuthembekile, kanye nesevisi ekhethekile ukuze izimise njengomlingani okhethwayo wezinkampani zemithi, abathuthukisi bezolimo, kanye nezikhungo zocwaningo ezifuna le ngqamuzana yokwakha ye-benzonitrile e-fluorinated enembayo eguquguqukayo.

I-XinChem isebenzisa izikhungo zokukhiqiza ezisezingeni eliphezulu kanye nezinyathelo zokuqinisekisa izinga eliqinile ukuze iqinisekise ukuhlanzeka, ukungaguquguquki, kanye nokuqina kwe-regioisomeric yemikhiqizo yayo ye-5-cyano-2-fluorobenzotrifluoride. Inqubo yokukhiqiza ihlanganisa izindlela zokwenziwa ezisunguliwe—kuhlanganise ne-diazotization ye-3-trifluoromethyl-4-haloaniline elandelwa yi-cyanation nge-potassium ferrocyanide phambi kwe-copper acetate ne-ethylenediamine—okuvumela ukulethwa kwemikhiqizo enokuhlanzeka okungu-≥98% (GC) kanye no-≥99% (GC) ukuze kuhlangatshezwane nezidingo ezahlukene zokusetshenziswa. Ukulawulwa kwenqubo okuqinile kuqinisekisa izinga lomkhiqizo elingaguquguquki, ukungcola kwe-regioisomeric okuncane, kanye nokuphindaphinda kobungako bemikhiqizo ngayinye, okunikeza amakhasimende ukusebenza okuthembekile ekwenziweni kwe-TrkA kinase inhibitor, ukuthuthukiswa kwemithi ye-CNS, kanye nokukhiqizwa kwezolimo.

Inqubo yokukhiqiza ilandela ngokuqinile izindinganiso zamazwe ngamazwe zekhwalithi, ngokulawulwa kwekhwalithi okuphelele okuhlanganisa ukutholakala kwezinto zokusetshenziswa, ukuqapha phakathi nenqubo, nokuhlolwa komkhiqizo oqediwe. I-batch ngayinye ihambisana ne-Certificate of Analysis (COA) enemininingwane ebhala izakhiwo zomzimba namakhemikhali, idatha yokuhlanzeka (GC), izinga lokuncibilika (66–70°C), ukuminyana (1.4 g/cm³), inkomba yokukhanya (n20D 1.44), kanye nezinhlobo zokungcola. I-XinChem inikeza i-COA eqondene ne-batch, ukupakisha okulungisekayo, kanye nokukhiqiza okuhambisana ne-REACH, ISO 9001, kanye ne-GMP emhlabeni wonke.

I-XinChem inikeza i-5-cyano-2-fluorobenzotrifluoride enobumsulwa obungu-≥98% (GC) kanye no-≥99% (GC) obutholakalayo, okuqinisekisa ukusebenza okuphezulu ekuhlanganiseni i-TrkA kinase inhibitor, ukuthuthukiswa kwemithi ye-CNS, kanye nokusetshenziswa kwezolimo. Ukubumsulwa okuphezulu komkhiqizo kanye nokuvumelana kwe-regioisomeric kunciphisa ingozi yokuphendula okungafuneki kanye nokwehluleka kwe-cross-coupling, okukwenza kufanelekele izinhlelo ezidinga kakhulu ekutholakaleni kwezidakamizwa kanye nokukhiqizwa kwemithi. Le nhlanganisela inikezwa njengempushana emhlophe kuya kokucishe kube mhlophe enokubukeka okungaguquki kanye nokucaciswa kwe-melting point (66–70°C).

Izincazelo ezibalulekile zifaka:

I-XinChem inikeza izinhlobo ezahlukene zokupakisha ukuze kuhlangatshezwane nezidingo ezahlukene zamakhasimende, kusukela kumanani esikali selabhorethri (5 g, 25 g, 100 g) kuya ekupakisheni kwesikali sezimboni (500 g, 1 kg, 5 kg, 25 kg) kanye nokuthunyelwa okukhulu. Izixazululo zokupakisha ezenziwe ngokwezifiso ziyatholakala uma ziceliwe, ziqinisekisa ukuphathwa, ukugcinwa, nokuthutha okuphephile ngokuvikelwa okufanele ekukhanyeni nasekumeni.

Njengengxenye yokwakha i-fluorinated benzonitrile enembayo, i-5-Cyano-2-fluorobenzotrifluoride (CAS# 67515-59-7) ibonisa ukubaluleka kokusetshenziswa ezimbonini eziningi:

Ithimba likaXinChem losokhemisi abanolwazi kanye nonjiniyela bezinhlelo luhlinzeka ngosekelo oluphelele lwezobuchwepheshe kulo lonke uhambo lwamakhasimende—kusukela ekukhetheni imikhiqizo nasekuthuthukiseni imininingwane kuya ekuqondiseni ngokusetshenziswa nasekuxazululeni izinkinga. Kungakhathaliseki ukuthi amakhasimende adinga ukuthuthukiswa kwezimo zokusabela kwe-cross-coupling, ukuqondiswa ekuhloleni ukuhlanzeka kwe-regioisomeric, noma usizo ngezincwadi zokulawula, ochwepheshe bezobuchwepheshe bakwaXinChem bakulungele ukusiza. Ukwenziwa ngokwezifiso kanye nokukhiqizwa ngenkontileka ngokukhula okuguquguqukayo kusuka ocwaningweni nasekuthuthukisweni kuya kumanani okuhweba kuyatholakala uma kuceliwe.

Ngezinhlelo zokuhlinzeka ezisunguliwe ezisebenza izimakethe kulo lonke elaseYurophu, eNyakatho Melika, e-Asia-Pacific, nangaphezulu, i-XinChem iqinisekisa ukulethwa ngesikhathi kanye nokutholakala komkhiqizo okungaguquki. Ithimba lezokuthutha lale nkampani liphethe zonke izici zokuthumela kwamanye amazwe, kuhlanganise nokuhambisana nemithetho yokuthutha izimpahla eziyingozi (UN 3439, Class 6.1, PG III), ukukhishwa kwempahla emhlabeni, kanye namadokhumenti, ngokulawula izinga lokushisa okufanele (2–8°C) nokuvikelwa komswakama ukuze kugcinwe ukuzinza komkhiqizo.

I-XinChem ihlinzeka ngamadokhumenti aphelele okusekela ukuhambisana nemithetho, kuhlanganise nama-Safety Data Sheets (SDS), ama-Certificates of Analysis (COA), kanye nezinye izitifiketi ezidingekayo. Le nkampani ihlala ihambisana nezidingo zomthetho eziguqukayo ezimakethe ezinkulu, kuhlanganise ne-REACH, i-TSCA, neminye imithetho yesifunda, isiza amakhasimende ukuba abhekane nobunkimbinkimbi bokuhweba komhlaba wonke.

Isipiliyoni esibanzi kanye nobuchwepheshe obujulile ekuhlanganiseni nasekuhlinzekeni nge-fluorinated benzonitrile.

Ukulawulwa kwekhwalithi okuqinile, ukuhlanzeka okuphezulu (≥98% kuya ku-≥99%), ukucaciswa kwe-regioisomeric, kanye nokuhambisana nezindinganiso zamazwe ngamazwe.

Ukuhlinzeka okuzinzile, amanani ancintisanayo, kanye nokulethwa ngesikhathi.

Izixazululo ezenzelwe umuntu ukuhlangabezana nezidingo ezahlukene zamakhasimende, okuhlanganisa ukuhlanganiswa okwenziwe ngokwezifiso kanye nokupakishwa.

Ukusekelwa kobuchwepheshe okusabelayo kanye nemibhalo ephelele ehlanganisa i-COA eqondene neqembu.

Xhumana nathi namuhla ukuze uqale ubudlelwano bakho ne-XinChem!

Iwebhusayithi: https://xinchemglobal.com

I-imeyili: sales1@xinchem.com

I-WhatsApp: +86 18049800532