5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde

5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde 구조식 이미지
카스 번호:
881674-56-2
상품명:
5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde
동의어(영문):
5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde;5-(2-Fluorophenyl)-1H-pyrrole-3-carboxaldehyde;5-(2-Fluorophenyl)pyrrole-3-carboxaldehyde;Vonorazan;VONOPRAZAN IST-1;5-(2-FL;e-3-carbaL;)-1H-pyrroL;Vonoprazan-1;Vonoprazan-023
CBNumber:
CB52638918
분자식:
C11H8FNO
포뮬러 무게:
189.19
MOL 파일:
881674-56-2.mol

5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde 속성

녹는점
133 °C
끓는 점
370.6±32.0 °C(Predicted)
밀도
1.270±0.06 g/cm3(Predicted)
저장 조건
under inert gas (nitrogen or Argon) at 2-8°C
용해도
클로로포름(약간 용해됨, 초음파 처리), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체
물리적 상태
단단한 모양
산도 계수 (pKa)
14.77±0.50(Predicted)
색상
밝은 갈색에서 갈색까지
안정성
흡습성
InChI
InChI=1S/C11H8FNO/c12-10-4-2-1-3-9(10)11-5-8(7-14)6-13-11/h1-7,13H
InChIKey
MQULPEUCGKEHEG-UHFFFAOYSA-N
SMILES
N1C(C2=CC=CC=C2F)=CC(C=O)=C1
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
HS 번호 2933998090
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:
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
P301+P312 삼켜서 불편함을 느끼면 의료기관(의사)의 진찰을 받으시오.

5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde C화학적 특성, 용도, 생산

개요

5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde is an ether. It can be used to prepare vonoprazan fumarate, which is a potent orally active potassium-competitive acid blocker (P-CAB) with antisecretory activity. It is used in the study of acid-related diseases.

화학적 성질

Light orange to Yellow to Green powder to crystal.

용도

5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde acts as a reagent in the synthetic preparation of novel pyrrole derivatives as potassium-competitive acid blocker (P-CAB).

주요 응용

5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde is a potassium ion-competitive acid blocker used in therapy Acid-related diseases, gastric ulcer, duodenal ulcer, reflux esophagitis, etc.

제조 방법

Synthesis of 5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde: Using pyrrole as raw material, after being protected by N-alkylation of triisopropylsilyl chloride, it is then reacted with Vilsmeier reagent to obtain 1H-Pyrrole-3-carbaldehyde, which is then purified by N-bromosuccinimide (NBS) bromination and 2-fluorophenylboronic acid for Suzuki coupling reaction to obtain crude 5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde, which was purified with toluene. The total yield was 35.5%.

정의

The 5-(2-fluorophenyl) -1H-pyrrole-3-formaldehyde is an important intermediate of Voranolan fumarate, a competitive potassium ion acid blocker. Voranolan fumarate treats gastric ulcers, duodenal ulcers, reflux esophagitis, etc. 5-(2-fluorophenyl) -1H-pyrrole-3-formaldehyde can be synthesized in one pot using 2-(2-fluorobenzoyl)malononitrile as raw material.

위험도

5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde has acute toxin effects and is a skin and eye irritant.

5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde 준비 용품 및 원자재

원자재

준비 용품


5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde 공급 업체

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