CAS 142253-57-4 Tert-butyl 3-((methanesulfonyloxy)methyl)azetidine-1-carboxylate (HCID 21959416)

기본 정보

CAS: 142253-57-4
표준 SMILES: CC(C)(C)OC(=O)N1CC(COS(C)(=O)=O)C1
InChIKey: LVYVGVJPTGKRSM-UHFFFAOYSA-N
분자식: C10H19NO5S
평균 분자량: 265.33 g/mol
단동위원소 질량: 265.09839371

이름 및 식별자

우선 이름: Tert-butyl 3-((methanesulfonyloxy)methyl)azetidine-1-carboxylate
IUPAC: tert-butyl 3-(methylsulfonyloxymethyl)azetidine-1-carboxylate
현지명: (1-(tert-부톡시카르보닐)아제티딘-3-일)-메틸-메탄술포네이트
영어명: (1-(tert-Butoxycarbonyl)azetidin-3-yl)-methyl-methanesulfonate
분자식: C10H19NO5S
분자량: 265.33

이름 및 동의어

tert-butyl 3-[(methanesulfonyloxy)methyl]azetidine-1-carboxylatetert-butyl 3-(((methylsulfonyl)oxy)methyl)azetidine-1-carboxylatetert-Butyl 3-[[(methylsulfonyl)oxy]methyl]azetidine-1-carboxylateTert-butyl 3-((methanesulfonyloxy)methyl)azetidine-1-carboxylatetert-Butyl 3-{[(methylsulfonyl)oxy]methyl}azetidine-1-carboxylateRefChem:892780968-465-0142253-57-4(1-(TERT-BUTOXYCARBONYL)AZETIDIN-3-YL)METHYL METHANESULFONATEtert-butyl 3-(methylsulfonyloxymethyl)azetidine-1-carboxylateMFCD16620807(1-(tert-Butoxycarbonyl)azetidin-3-yl)-methyl-methanesulfonate

이름 더 보기

(1-(tert-부톡시카르보닐)아제티딘-3-일)-메틸-메탄술포네이트1-Boc-3-[[(methylsulfonyl)oxy]methyl]azetidine3-methanesulfonyloxymethyl-azetidine-1-carboxylic acid tert-butyl estertert-butyl 3-(methylsulfonyloxymethyl)azetidine-1-carboxylate - [B82833]1-Azetidinecarboxylic acid, 3-[[(methylsulfonyl)oxy]methyl]-,1,1-dimethylethyl ester

tert-butyl 3-(methanesulfonyloxymethyl)azetidine-1-carboxylate1-Boc-3-methylsulfonyloxymethyl-azetidineSCHEMBL445759orb3176739DTXSID30620816LVYVGVJPTGKRSM-UHFFFAOYSA-N1-Boc-3-(mesyloxymethyl)azetidineSFA25357

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 81.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 17
형식 전하: 0
복잡도: 372

물리화학적 성질

끓는 점: 390 · 390.0±15.0 °C(Predicted)
밀도: 1.238 · 1.238±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): -2.41 · -2.41±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.