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Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate 구조식 이미지

카스 번호:: 160844-75-7

상품명:: Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

동의어(영문):: 2-[3-cyano-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-Thiazolecarboxylic acid ethyl ester;Febuxostat Ethyl Ester;Febuxostat-7;FEBUXOSTAT INT N-1;Non-Bust Impurity 23;Febuxostat Impurities3;ethyl ester of febuxostat;Febuxostat Ethyl Ester Impurity;ethyl 2-(3-cyano-4-isobutoxyphenyl);2-[3-cyano-4-(2-Methylpropoxy)phenyl]-4-Me

CBNumber:: CB22129451

분자식:: C18H20N2O3S

포뮬러 무게:: 344.43

MOL 파일:: 160844-75-7.mol

속성

안전

용도

공급 업체 394

Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate 속성

녹는점: 176 °C

끓는 점: 497.1±55.0 °C(Predicted)

밀도: 1.22

저장 조건: Sealed in dry,Room Temperature

용해도: DMSO(약간 용해됨, 가열), 메탄올(아주 적은 양으로 녹여라, 가열)

물리적 상태: 고체

물리적 상태: 단단한 모양

산도 계수 (pKa): 1.02±0.10(Predicted)

색상: 흰색에서 황백색까지

InChI: InChI=1S/C18H20N2O3S/c1-5-22-18(21)16-12(4)20-17(24-16)13-6-7-15(14(8-13)9-19)23-10-11(2)3/h6-8,11H,5,10H2,1-4H3

InChIKey: OGAZOYHQFBSRMC-UHFFFAOYSA-N

SMILES: S1C(C(OCC)=O)=C(C)N=C1C1=CC=C(OCC(C)C)C(C#N)=C1

CAS 데이터베이스: 160844-75-7(CAS DataBase Reference)

안전

위험 및 안전 성명
위험 및 사전주의 사항 (GHS)

HS 번호	2934.10.2000

그림문자(GHS):

신호 어:

Warning

유해·위험 문구:

암호	유해·위험 문구	위험 등급	범주	신호 어	그림 문자	P- 코드
H315	피부에 자극을 일으킴	피부부식성 또는 자극성물질	구분 2	경고		P264, P280, P302+P352, P321,P332+P313, P362
H319	눈에 심한 자극을 일으킴	심한 눈 손상 또는 자극성 물질	구분 2A	경고		P264, P280, P305+P351+P338,P337+P313P

예방조치문구:

P264	취급 후에는 손을 철저히 씻으시오.
P264	취급 후에는 손을 철저히 씻으시오.
P280	보호장갑/보호의/보안경/안면보호구를 착용하시오.
P302+P352	피부에 묻으면 다량의 물로 씻으시오.
P305+P351+P338	눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.
P321	(…) 처치를 하시오.
P332+P313	피부 자극이 생기면 의학적인 조치· 조언을 구하시오.
P362	오염된 의복을 벗고 세척 후에 재사용하기

NFPA 704

	0
2		0

Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate C화학적 특성, 용도, 생산

화학적 성질

White crystalline powder

용도

Ethyl 2-(3-Cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate is an impurity of Febuxostat (F229000), a xanthine oxidase/xanthine dehydrogenase inhibitor. Used for treatment of hyperuricemia and chronic gout. 40-120 mg/day febuxostat was proven effective in lowering serum urate levels when administered to manage hyperuricemia in patients with gout.

Synthesis

CarboxylatePotassium carbonate (300 g, 2.17 mol) and isobutyl bromide (142.7 g, 1.041 mol) were added to a solution of ethyl-2-(3-cyano-4-hydroxyphenyl)-4-methyl-5-thiazole carboxylate (100 g, 0.347 mol) in dimethylformamide (300 mL), and the reaction mixture was heated at a temperature of about 75°C for about 8 hours. After completion of the reaction, the reaction mixture was cooled to about 40°C, and water was added. The reaction mixture was further cooled to about 0°C and stirred for about 1 hour. The solid thus obtained was filtered, washed with water, and dried to give Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate. (Yield: 11 lg, 92.9%)

Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate 준비 용품 및 원자재

원자재

5-iodo-2-isobutoxybenzonitrile ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl thiazole-5-carboxylate Ethyl 2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylate Ethyl 2-(3-bromo-4-isobutoxyphenyl)- 4-methyl-5-thiazolecarboxylate 5-bromo-2-isobutoxy benzonitirle 3-Cyano-4-(2-methylpropoxy)benzenecarbothioamide (3-cyano-4-isobutoxyphenyl)boronic acid Febuxostat Impurity 6 에틸 2-브로모-4-메틸씨아졸-5-카르복실레이트 Ethyl 4-methyl-5-thiazoleactate Ethyl 2-(3-Cyano-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate 5-Bromo-2-fluorobenzonitrile 이소부틸브로마이드

준비 용품

Febuxostat

Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate 공급 업체

글로벌( 394)공급 업체

공급자	전화	이메일	국가	제품 수	이점
Jiangxi Chiyan Biopharmaceutical Technology Co.,Ltd.	+86-18616643091 +86-18616643091	info@rochipharma.com	China	246	58
Hebei Mojin Biotechnology Co., Ltd	+8613288715578	sales@hbmojin.com	China	12456	58
Hebei Yanxi Chemical Co., Ltd.	+8617531190177	peter@yan-xi.com	China	5993	58
Zibo Hangyu Biotechnology Development Co., Ltd	+86-0533-2185556 +8617865335152	Mandy@hangyubiotech.com	China	11013	58
Anhui Ruihan Technology Co., Ltd	+8617756083858	daisy@anhuiruihan.com	China	994	58
Capot Chemical Co.,Ltd.	571-85586718 +8613336195806	sales@capotchem.com	China	29797	60
Shanghai Daken Advanced Materials Co.,Ltd	+86-371-66670886	info@dakenam.com	China	15928	58
Beijing Cooperate Pharmaceutical Co.,Ltd	010-60279497	sales01@cooperate-pharm.com	CHINA	1811	55
Henan Tianfu Chemical Co.,Ltd.	+86-0371-55170693 +86-19937530512	info@tianfuchem.com	China	21691	55
Hangzhou FandaChem Co.,Ltd.	008657128800458; +8615858145714	fandachem@gmail.com	China	9348	55

Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate 관련 검색:

메틸티아졸(4-) Memantine Ethyl 2-(3-Cyano-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl thiazole-5-carboxylate Febuxostat Acyl-β-D-glucuronide Febuxostat Descyano Impurity Febuxostat ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE ethyl 2-(4-hydroxyphenyl)-4-methyl thiazole-5-carboxylate isopropyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate Febuxostat Impurity 6 2,2'-[4-(2-Methylpropoxy)-1,3-phenylene]bis[4-Methyl-5-thiazolecarboxylic Acid 2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid 2-(3-cyano-4-propoxyphenyl)-4-methylthiazole-5-carboxylic acid Febuxostat Impurity 8 4-(2-Methylpropoxy)-1,3-benzenedicarbothioaMide 3-Cyano-4-isobutoxybenzoic acid FeBuxostat Impurity 33