Ethyl 2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylate

Ethyl 2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylate 구조식 이미지
카스 번호:
161797-99-5
상품명:
Ethyl 2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylate
동의어(영문):
ethyl 2-(4-hydroxyphenyl)-4-Methyl-5-Thiazolecarboxylate;Febuxostat-8;Febuxostat Impurity A-1;3-thiazole-5-carboxylate;ethyl 2-(4-hydroxyphenyl);Intermediates of Febuxostat;Intermediate 2 of non brucite;Febuxostat Desaldehyde Impurity;Ethyl 2-(4-hydroxyphenyl)-4-methyl-1;Febuxostat Descyano Hydroxy Ethyl Ester
CBNumber:
CB02128586
분자식:
C13H13NO3S
포뮬러 무게:
263.31
MOL 파일:
161797-99-5.mol

Ethyl 2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylate 속성

녹는점
180 ºC
끓는 점
426.8±55.0 °C(Predicted)
밀도
1.274
저장 조건
Sealed in dry,Room Temperature
용해도
DMSO(약간 용해됨), 메탄올(매우 소량)
물리적 상태
고체
물리적 상태
단단한 모양
산도 계수 (pKa)
8.56±0.15(Predicted)
색상
회백색
CAS 데이터베이스
161797-99-5(CAS DataBase Reference)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
그림문자(GHS): GHS hazard pictograms
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 GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 눈에 심한 자극을 일으킴 심한 눈 손상 또는 자극성 물질 구분 2A 경고 GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H335 호흡 자극성을 일으킬 수 있음 특정 표적장기 독성 - 1회 노출;호흡기계 자극 구분 3 경고 GHS hazard pictograms
예방조치문구:
P261 분진·흄·가스·미스트·증기·...·스프레이의 흡입을 피하시오.
P304+P340 흡입하면 신선한 공기가 있는 곳으로 옮기고 호흡하기 쉬운 자세로 안정을 취하시오.
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.
P405 밀봉하여 저장하시오.
NFPA 704
1
2 0

Ethyl 2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylate C화학적 특성, 용도, 생산

용도

Ethyl 2-(4-Hydroxyphenyl)-4-methylthiazole-5-carboxylate is used in the synthesis of the major metabolites 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

A mixture of 4-cyanophenol, NaOH, and ethanol was mixed in a pressure bottle while heated to 80° C. Hydrogen sulfide gas was then introduced, and the pressure increased to 30-60 psi until the thioamidation was determined to be complete by HPLC. Without isolating the thioamide product, HCl was added to the bottle until the pH was below 3.5, the H2S gas was removed, and the bottle was placed under a vacuum for 20 minutes at 30-40° C. The reaction was then heated to 70° C, and ethyl 2-chloroacetoacetate(1.1 eq.) was added to the reaction solution. The reaction was mixed under reflux for 2-3 hours, treated with enough H2O to dissolve the NaCl salt in the reaction mixture, cooled to room temperature, treated with enough water to precipitate the product, and the solid was collected by filtration. The precipitate was washed with water and dried at 80° C. with nitrogen bleeding to provide Ethyl 2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylate. ethyl 2-(4-hydroxyphenyl)-4-methyl thiazole-5-carboxylate

Ethyl 2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylate 준비 용품 및 원자재

원자재

준비 용품


Ethyl 2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylate 공급 업체

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