기본 정보
- CAS
103057-45-0- 표준 SMILES
Cc1ccc(S(=O)(=O)OC2CCN(C(=O)OC(C)(C)C)C2)cc1- InChIKey
MWACHFODPQVXHF-UHFFFAOYSA-N- 분자식
- C16H23NO5S
- 평균 분자량
- 341.4 g/mol
- 단동위원소 질량
- 341.12969384
이름 및 식별자
- 우선 이름
- tert-Butyl 3-(tosyloxy)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate
- 현지명
- 1-BOC-3-(톨루엔-4-설포닐록시)-피롤리딘
- 영어명
- 1-BOC-3-(TOLUENE-4-SULFONYLOXY)-PYRROLIDINE
- 분자식
- C16H23NO5S
- 분자량
- 341.42
이름 및 동의어
103057-45-0tert-Butyl 3-(tosyloxy)pyrrolidine-1-carboxylate1-Boc-3-tosyloxypyrrolidinetert-butyl 3-[(4-methylbenzenesulfonyl)oxy]pyrrolidine-1-carboxylate3-(Toluene-4-sulfonyloxy)-pyrrolidine-1-carboxylic acid tert-butyl esterMFCD07787191tert-Butyl 3-{[(4-methylbenzene)sulfonyl]oxy}pyrrolidine-1-carboxylatetert-butyl 3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylatetert-Butyl3-(tosyloxy)pyrrolidine-1-carboxylatetert-Butyl 3-{[(4-methylphenyl)sulfonyl]-oxy}pyrrolidine-1-carboxylatetert-butyl 3-{[(4-methylphenyl)sulfonyl]oxy}pyrrolidine-1-carboxylate1,1-Dimethylethyl 3-[[(4-methylphenyl)sulfonyl]oxy]-1-pyrrolidinecarboxylate
이름 더 보기
1-BOC-3-(톨루엔-4-설포닐록시)-피롤리딘N-Boc-3-tosyloxypyrrolidine1-BOC-3-(TOLUENE-4-SULFONYLOXY)-PYRROLIDINtert-butyl 3-{[(4-methyl-1l4-thiopyran-1-yl)sulfonyl]oxy}pyrrolidine-1-carboxylate
1-pyrrolidinecarboxylic acid, 3-[[(4-methylphenyl)sulfonyl]oxy]-, 1,1-dimethylethyl estertert-Butyl 3-[[(4-methylphenyl)sulfonyl]oxy]-1-pyrrolidinecarboxylate1-Boc-3-(Toluene-4-sulfonyloxy)-pyrrolidinetert-butyl 3-{[(4-methylphenyl)sulfonyl]oxy}-1-pyrrolidinecarboxylateUN68WM2Q6BSCHEMBL221063tert-butyl (3S)-3-(p-tolylsulfonyloxy)pyrrolidine-1-carboxylateDTXSID70544547
데이터베이스 식별자
- CAS
103057-45-0- PubChem CID
- 13591085
- DTXSID
DTXSID70544547- UNII
- UN68WM2Q6B
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 81.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 512
물리화학적 성질
- 녹는점
- 77 · 77-79C
- 끓는 점
- 461.9 · 461.9±38.0 °C(Predicted)
- 밀도
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 용해도
- 클로로포름, 메탄올에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- -3.58 · -3.58±0.40(Predicted)
- 색상
- 옅은 노랑
화학적 성질
Pale Yellow Solid
안전 및 규제
안전 데이터
- 위험 등급
- IRRITANT
화학 및 산업
공급사31 곳
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