3-메탄술포닐옥시메틸-피롤리딘-1-카르복실산tert부틸에스테르

tert-Butyl 3-(((methylsulfonyl)oxy)methyl)pyrrolidine-1-carboxylate

HCID 4183641CAS 141699-56-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCC(COS(C)(=O)=O)C1
InChIKey: XFRHYGNZDGDQST-UHFFFAOYSA-N
분자식: C11H21NO5S
평균 분자량: 279.36 g/mol
단동위원소 질량: 279.11404394

이름 및 식별자

우선 이름: tert-Butyl 3-(((methylsulfonyl)oxy)methyl)pyrrolidine-1-carboxylate
IUPAC: tert-butyl 3-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate
현지명: 3-메탄술포닐옥시메틸-피롤리딘-1-카르복실산tert부틸에스테르
영어명: 3-METHANESULFONYLOXYMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT BUTYL ESTER
분자식: C11H21NO5S
분자량: 279.35

이름 및 동의어

141699-56-1tert-Butyl 3-(((methylsulfonyl)oxy)methyl)pyrrolidine-1-carboxylate3-Methanesulfonyloxymethyl-pyrrolidine-1-carboxylic acid tert butyl esterTert-butyl 3-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylateMFCD04038482tert-butyl 3-[(methanesulfonyloxy)methyl]pyrrolidine-1-carboxylate1-Boc-3-[(Methanesulfonyloxy)methyl]pyrrolidinetert-butyl 3-((methylsulfonyloxy)methyl)pyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 3-[[(methylsulfonyl)oxy]methyl]-,1,1-dimethylethyl ester(R)-tert-Butyl 3-(((methylsulfonyl)oxy)-methyl)pyrrolidine-1-carboxylate274692-06-73-METHANESULFONYLOXYMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

이름 더 보기

3-메탄술포닐옥시메틸-피롤리딘-1-카르복실산tert부틸에스테르3-MethanesulfonyloxyMethyl-1-Boc-pyrrolidine(1-Boc-3-pyrrolidinyl)methyl Methanesulfonate(1-(tert-Butoxycarbonyl)pyrrolidin-3-yl)methyl methanesulfonate3-Methanesulfonyloxymethyl-Pyrrolidine-1-Carboxylic acid Ter...1,1-Dimethylethyl 3-[[(methylsulfonyl)oxy]methyl]-1-pyrrolidinecarboxylate(3R)-3-(methylsulfonyloxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester

(S)-tert-Butyl 3-(((methylsulfonyl)oxy)methyl)pyrrolidine-1-carboxylate1-Boc-3-methanesulfonyloxymethylpyrrolidinetert-Butyl 3-{[(methylsulfonyl)oxy]methyl}pyrrolidine-1-carboxylateXFRHYGNZDGDQST-UHFFFAOYSA-NSCHEMBL613606DTXSID60400426RFA69956AKOS015838339

데이터베이스 식별자

CAS: 141699-56-1
PubChem CID: 4183641
DTXSID: DTXSID60400426

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 81.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 18
형식 전하: 0
복잡도: 393

물리화학적 성질

끓는 점: 404.4 · 404.4±18.0 °C(Predicted)
밀도: 1.204 · 1.204±0.06 g/cm3(Predicted)
저장 조건: Store at Room Tem.
산도 계수 (pKa): -2.2 · -2.20±0.40(Predicted)
물리적 상태: solid
InChI: 1S/C11H21NO5S/c1-11(2,3)17-10(13)12-6-5-9(7-12)8-16-18(4,14)15/h9H,5-8H2,1-4H3
InChIKey: XFRHYGNZDGDQST-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)N1CCC(COS(C)(=O)=O)C1

안전 및 규제

안전 데이터

wgk: WGK 3
ridadr: UN 2811 6.1 / PGIII
HS 번호: 2933998090
risk_code: 25
hazard_code: Xi,T
safety_code: 45
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects