(R)-1-(TERT-부톡시카르보닐)-2-아제티딘메탄올

(R)-1-Boc-2-azetidinemethanol

HCID 11074142

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 161511-90-6
표준 SMILES: CC(C)(C)OC(=O)N1CC[C@@H]1CO
InChIKey: XIRUXUKRGUFEKC-SSDOTTSWSA-N
분자식: C9H17NO3
평균 분자량: 187.24 g/mol
단동위원소 질량: 187.1208434

이름 및 식별자

우선 이름: (R)-1-Boc-2-azetidinemethanol
IUPAC: tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
현지명: (R)-1-(TERT-부톡시카르보닐)-2-아제티딘메탄올
영어명: (R)-1-(TERT-BUTOXYCARBONYL)-2-AZETIDINEMETHANOL
분자식: C9H17NO3
분자량: 187.24

이름 및 동의어

(R)-1-Boc-2-azetidinemethanol161511-90-6DTXSID20454228RefChem:210848DTXCID10405047(R)-1-(tert-Butoxycarbonyl)-2-azetidinemethanolTert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylateMFCD037909371-Azetidinecarboxylic acid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2R)-(R)-1-t-butoxycarbonyl-2-azetidinemethanol(R)-1-t-butyloxycarbonyl-2-azetidinemethanol1-t-butoxycarbonyl-2-(R)-hydroxymethyiazetidine

이름 더 보기

(R)-1-(TERT-부톡시카르보닐)-2-아제티딘메탄올(R)-1-Boc-2-azetidinemeth...(R)-1-BOC-2-azetidinemethanol - [B1554](R)-1-(tert-Butoxycarbonyl)-2-azetidinemethanol >tert-butyl(R)-2-(hydroxymethyl)azetidine-1-carboxylate

(R)-tert-butyl 2-(hydroxymethyl)azetidine-1-carboxylateAM20080443(R)-2-HYDROXYMETHYL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERSCHEMBL283443tert-butyl (R)-2-(hydroxymethyl)azetidine-1-carboxylate1-BOC-2-(R)-azetidinemethanolAKOS015841262AKOS015901313

데이터베이스 식별자

CAS: 161511-90-6
PubChem CID: 11074142
DTXSID: DTXSID20454228
EC Number: 987-305-0
Nikkaji: J995.455D

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 198

물리화학적 성질

끓는 점: 270.3 · 270.3±13.0 °C(Predicted)
밀도: 1.115 · 1.115±0.06 g/cm3(Predicted)
굴절률: 1.458 · 1.4580-1.4620
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
산도 계수 (pKa): 14.77 · 14.77±0.10(Predicted)
색상: 무색 내지 거의 무색

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2933998090

화학 및 산업

응용 분야

용도(2R)-1-Boc-2-(hydroxymethyl)azetidine was used to study analgesic structure activity relationship of (azetidinylmethoxy)chloropyridine derivatives. It is used for efficient asymmetric synthesis of oral analgesic.