1-((벤질록시)카보닐)피페리딘-4-일메탄설포네이트

Benzyl 4-((methanesulfonyl)oxy)piperidine-1-carboxylate

HCID 58303455

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 199103-19-0
표준 SMILES: CS(=O)(=O)OC1CCN(C(=O)OCc2ccccc2)CC1
InChIKey: AMBWIRHJLQDRCN-UHFFFAOYSA-N
분자식: C14H19NO5S
평균 분자량: 313.37 g/mol
단동위원소 질량: 313.09839388

이름 및 식별자

우선 이름: Benzyl 4-((methanesulfonyl)oxy)piperidine-1-carboxylate
IUPAC: benzyl 4-methylsulfonyloxypiperidine-1-carboxylate
현지명: 1-((벤질록시)카보닐)피페리딘-4-일메탄설포네이트
영어명: 1-((Benzyloxy)carbonyl)piperidin-4-yl methanesulfonate
분자식: C14H19NO5S
분자량: 313.37

이름 및 동의어

199103-19-0DTXSID70729079Benzyl 4-((methanesulfonyl)oxy)piperidine-1-carboxylateBenzyl 4-[(methanesulfonyl)oxy]piperidine-1-carboxylateRefChem:1079420DTXCID70679823benzyl 4-(methanesulfonyloxy)piperidine-1-carboxylateBenzyl 4-((methylsulfonyl)oxy)piperidine-1-carboxylate1-((BENZYLOXY)CARBONYL)PIPERIDIN-4-YL METHANESULFONATEMFCD09953312benzyl 4-methylsulfonyloxypiperidine-1-carboxylate1-Piperidinecarboxylic acid, 4-[(methylsulfonyl)oxy]-, phenylmethyl ester

이름 더 보기

1-((벤질록시)카보닐)피페리딘-4-일메탄설포네이트Phenylmethyl 4-(methylsulfonyl)oxy-1-piperidinecarboxylate

benzyl 4-[(methylsulfonyl)oxy]piperidine-1-carboxylate1-Cbz-4-(mesyloxy)piperidineSCHEMBL375302Benzyl4-((methylsulfonyl)oxy)piperidine-1-carboxylateAMBWIRHJLQDRCN-UHFFFAOYSA-N1-Cbz-4-piperidyl Methanesulfonate1-Cbz-4-methanesulfonyloxypiperidineAB6287

데이터베이스 식별자

CAS: 199103-19-0
PubChem CID: 58303455
DTXSID: DTXSID70729079

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 81.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 21
형식 전하: 0
복잡도: 431

물리화학적 성질

끓는 점: 492.3 · 492.3±44.0 °C(Predicted)
밀도: 1.31 · 1.31±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -3.07 · -3.07±0.40(Predicted)

화학 및 산업

응용 분야

용도Benzyl 4-((methylsulfonyl)oxy)piperidine-1-carboxylate is used as an intermediate for the preparation of conformationally restricted saturated nitrogen heterocyclic sulfonyl chloride.