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

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

카스 번호881674-56-2

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

CBNumberCB52638918

분자식C11H8FNO

포뮬러 무게189.19

MOL 파일881674-56-2.mol

화학적 성질

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

위험 및 안전 성명

HS 번호

2933998090

그림문자(GHS)

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

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