ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE

ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE 구조식 이미지
카스 번호:
161798-03-4
상품명:
ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE
동의어(영문):
2-(3-forMyl;Febuxostat-24;-4-isobutoxyphenyL;Febuxostat Impurity G;Febuxostat Impurity 2;Febuxostat Impurities2;Febuxostat Impurity Z18;Febuxostat Impurity Z2-2;Ethyl 2-(3-formyl-4-isobutoxyphenyl);Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiaz
CBNumber:
CB11474517
분자식:
C18H21NO4S
포뮬러 무게:
347.43
MOL 파일:
161798-03-4.mol

ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE 속성

녹는점
158-160°C
끓는 점
495.9±55.0 °C(Predicted)
밀도
1.183
저장 조건
under inert gas (nitrogen or Argon) at 2-8°C
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨, 초음파처리)
물리적 상태
고체
물리적 상태
단단한 모양
산도 계수 (pKa)
1.39±0.10(Predicted)
색상
옅은 노랑
CAS 데이터베이스
161798-03-4(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
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

ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE C화학적 특성, 용도, 생산

용도

Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate is an impurity of Febuxostat (F229000), which is a xanthine oxidase/xanthine dehydrogenase inhibitor, used for treatment of hyperuricemia and chronic gout.

Synthesis

Preparation of Compound of formula III)[0094] A compound of formula II (10.0 gr, 34.33 mmol) was reacted with iso- butyl bromide (18.9 gr, 137.3 mmol) in the presence of potassium carbonate (19.0 gr, 137.3 mmol) and potassium iodide (2.3 gr, 13.7 mmol) in 60 ml dimethylformamide. The reaction was performed at about 70°C during 4 hours. The reaction mixture was extracted at 70°C using 300 ml ethyl acetate and 600 ml water. The separated aqueous phase was washed twice with 100 ml ethyl acetate. The combined organic phase was washed twice with 100 ml water and then concentrated to dryness. The resulting solid residue was re- crystallized from 70 ml ethyl acetate, filtered and dried under reduced pressure at about 40°C to provide a compound of formula III (8.9 gr, yield - 83percent). The Compound of formula III purity is 99.1percent (by HPLC).

ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE 준비 용품 및 원자재

원자재

준비 용품


ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE 공급 업체

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