2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile

2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile 구조식 이미지
카스 번호:
1240948-72-4
상품명:
2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
동의어(영문):
Vonoprazan-3;Vonoprazan-024;TAK438 Impurity 32;Vonolazan impurity 3;Vonoprazan Impurity Ⅶ;Vonoprazan Impurity 33;TAK438 Intermediate 3;Vonoprazan Fumarate impurity G;Voronozan initiator 1 impurity I;2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
CBNumber:
CB72722688
분자식:
C11H6ClFN2
포뮬러 무게:
220.63
MOL 파일:
1240948-72-4.mol

2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile 속성

끓는 점
403.0±45.0 °C(Predicted)
밀도
1.41±0.1 g/cm3(Predicted)
저장 조건
2-8°C
산도 계수 (pKa)
12.88±0.50(Predicted)
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
H302 삼키면 유해함 급성 독성 물질 - 경구 구분 4 경고 GHS hazard pictograms P264, P270, P301+P312, P330, P501
예방조치문구:
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.

2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile C화학적 특성, 용도, 생산

개요

2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile is an important pharmaceutical intermediate. It can be used in the preparation of vorexanol fumarate and vonoprazan, and can also be used as a chemical raw material for the synthesis of other organic compounds.

용도

2-Chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile (Vonoprazan Impurity 33) is an impurity of Vonoprazan, a potassium-competitive acid blocker (P-CAB) that suppresses gastric acid secretion.

Synthesis

2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile is synthesised using 2-[2-(2-fluorophenyl)-2-oxoethyl]malononitrile as raw material by chemical reaction. The specific synthesis steps are as follows:
2 g of the intermediate III-1 was dissolved in 40 ml of a solution of hydrochloric acid in ethyl acetate, and the mixture was stirred at room temperature overnight. After the reaction is completed, the solvent is distilled off under reduced pressure to give the compound of 2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile, 2.1 g of a white solid with a yield of 96%.
2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile synthesis

2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile 준비 용품 및 원자재

원자재

준비 용품


2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile 공급 업체

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