1-(tert-부톡시카르보닐)-3-(메탄술포닐옥시)아제티딘

Tert-butyl 3-(methanesulfonyloxy)azetidine-1-carboxylate

HCID 10753243

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 141699-58-3
표준 SMILES: CC(C)(C)OC(=O)N1CC(OS(C)(=O)=O)C1
InChIKey: XXBDTKYKFFIAEY-UHFFFAOYSA-N
분자식: C9H17NO5S
평균 분자량: 251.3 g/mol
단동위원소 질량: 251.08274364

이름 및 식별자

우선 이름: Tert-butyl 3-(methanesulfonyloxy)azetidine-1-carboxylate
IUPAC: tert-butyl 3-methylsulfonyloxyazetidine-1-carboxylate
현지명: 1-(tert-부톡시카르보닐)-3-(메탄술포닐옥시)아제티딘
영어명: 1-(Tert-butoxycarbonyl)-3-(methanesulfonyloxy)azetidine
분자식: C9H17NO5S
분자량: 251.3

이름 및 동의어

tert-butyl 3-(methanesulfonyloxy)azetidine-1-carboxylateRefChem:893121676-276-7141699-58-31-Boc-3-Methanesulfonyloxyazetidinetert-Butyl 3-[(methylsulfonyl)oxy]-1-azetanecarboxylate1-(TERT-BUTOXYCARBONYL)-3-(METHANESULFONYLOXY)AZETIDINEMFCD05664832Tert-butyl 3-methylsulfonyloxyazetidine-1-carboxylateC9H17NO5SN-Boc-3-methanesulfonyloxyazetidinetert-butyl 3-((methylsulfonyl)oxy)azetidine-1-carboxylate

이름 더 보기

1-(tert-부톡시카르보닐)-3-(메탄술포닐옥시)아제티딘1-Boc-3-(mesyloxy)azetidine1-Boc-3-methanesulfonyloxy-azetidineN-Boc 3-(Methylsulfonyloxy)azetidine1-N-BOC-3-METHANESULFONYLOXYAZETIDINE1-(tert-Butoxycarbonyl)-3-(mesyloxy)azetidine1-(tert-butoxycarbonyl)azetidine-3-yl-methanesulfonatetert-Butyl 3-[(methylsulfonyl)oxy]azetane-1-carboxylate

tert-butyl 3-[(methylsulfonyl)oxy]azetidine-1-carboxylateAKOS005069292PB15811B5801EN300-652141-t-butoxycarbonyl-3-(methanesulfonyloxy)azetidinet-butyl 3-[(methylsulfonyl)oxy]azetidine-1-carboxylatetert-butyl 3-[(methylsulfonyl)oxy]-1-azetidinecarboxylate

데이터베이스 식별자

CAS: 141699-58-3
PubChem CID: 10753243
DTXSID: DTXSID40444444
EC Number: 676-276-7

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 81.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 358

물리화학적 성질

녹는점: 69 °C · 69 °C
끓는 점: 378.5 · 378.5±31.0 °C(Predicted)
밀도: 1.28 · 1.28±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): -4.18 · -4.18±0.40(Predicted)
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C9H17NO5S/c1-9(2,3)14-8(11)10-5-7(6-10)15-16(4,12)13/h7H,5-6H2,1-4H3
InChIKey: XXBDTKYKFFIAEY-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CC(OS(C)(=O)=O)C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (75%)

안전 데이터

ridadr: UN 2811 6.1 / PGIII
HS 번호: 2933998090
risk_code: 25
hazard_code: 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