데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
881674-56-2- 표준 SMILES
O=Cc1c[nH]c(-c2ccccc2F)c1- InChIKey
MQULPEUCGKEHEG-UHFFFAOYSA-N- 분자식
- C11H8FNO
- 평균 분자량
- 189.189 g/mol
- 단동위원소 질량
- 189.0589921
이름 및 식별자
- 우선 이름
- 5-(2-Fluorophenyl)-1H-pyrrole-3-carboxaldehyde
- IUPAC
- 5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde
- 현지명
- 1H-피롤-3-카복스알데히드,5-(2-플루오로페닐)-
- 영어명
- 5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde
- 분자식
- C11H8FNO
- 분자량
- 189.19
이름 및 동의어
1H-피롤-3-카복스알데히드,5-(2-플루오로페닐)-5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde5-(2-Fluorophenyl)-1H-pyrrole-3-carboxaldehyde5-(2-Fluorophenyl)pyrrole-3-carboxaldehydeVonorazanVONOPRAZAN IST-15-(2-Fluorophenyl)-1H-pyrrole-3-carbal...1H-Pyrrole-3-carboxaldehyde, 5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde5-(2-FLe-3-carbaL)-1H-pyrroL
데이터베이스 식별자
- CAS
881674-56-2- PubChem CID
- 46908593
- DTXSID
DTXSID501250112- UNII
- CN6L2LM4BE
- EC Number
- 809-913-6
- Nikkaji
- J2.662.733H
물성
물리화학적 성질
- 녹는점
- 133 °C · 133 °C
- 끓는 점
- 370.6 · 370.6±32.0 °C(Predicted)
- 밀도
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 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
- 산도 계수 (pKa)
- 14.77 · 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
화학적 성질
Light orange to Yellow to Green powder to crystal.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 2933998090
화학 및 산업
응용 분야
개요5-(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.
용도5-(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).
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%.
상·하류 제품 정보
상류 원료
관련 반응
70건
화합물 노트
불러오는 중…