Tert-butyl N-(benzyloxy)carbamate

HCID 736159CAS 79722-21-7

기본 정보

표준 SMILES: CC(C)(C)OC(=O)NOCc1ccccc1
InChIKey: MZNBNPWFHGWAGH-UHFFFAOYSA-N
분자식: C12H17NO3
평균 분자량: 223.27 g/mol
단동위원소 질량: 223.1208434

이름 및 식별자

우선 이름: Tert-butyl N-(benzyloxy)carbamate
IUPAC: tert-butyl N-phenylmethoxycarbamate
영어명: TERT-BUTYL N-(BENZYLOXY)CARBAMATE
분자식: C12H17NO3
분자량: 223.27

이름 및 동의어

79722-21-7tert-Butyl N-(benzyloxy)carbamateDTXSID30352943RefChem:383810DTXCID70304007628-800-0tert-butyl benzyloxycarbamatetert-butyl N-phenylmethoxycarbamateN-(Benzyloxy)carbamic Acid tert-Butyl Estertert-Butyl (benzyloxy)carbamateMFCD00191873tert-butyl N-benzyloxycarbamate

이름 더 보기

ZONBocXanthoanthrafil-d3LABOTEST-BB LT00452293tert-Butyl (benzyloxy)carbamate 99%tert-Butyl N-(Benzyloxy)carbamate >tert-Butyl N-(benzyloxy)carbamate ,98%tert-Butyl N-(benzyloxy)carbamate, 98.5%

N-Boc-O-benzylhydroxylaminetert-Butyl-N-benzyloxycarbamatetert-Butyl N-(benzyloxy)carbamate, 99%N-tert-butyloxycarbonyl-O-benzylhydroxylamineN-(tert-butoxycarbonyl)-O-benzylhydroxylaminetert-butyl(benzyloxy)carbamate(tert-butoxy)-N-(phenylmethoxy)carboxamideMZNBN

데이터베이스 식별자

CAS: 79722-21-7
PubChem CID: 736159
DTXSID: DTXSID30352943
EC Number: 628-800-0
Nikkaji: J1.333.306H

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 47.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 16
형식 전하: 0
복잡도: 217

물리화학적 성질

녹는점: 45 · 45-47 °C (lit.)
밀도: 1.078 · 1.078±0.06 g/cm3 (20 ºC 760 Torr)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 고체
색상: 하얀색
InChI: InChI=1S/C12H17NO3/c1-12(2,3)16-11(14)13-15-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14)
InChIKey: MZNBNPWFHGWAGH-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NOCC1=CC=CC=C1

화학적 성질

White powder

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)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29280000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도tert-Butyl N-(benzyloxy)carbamate was used in the preparation of seven-membered cyclic hydroxamic acids. It may be used in the synthesis of 2-(N-formyl-N-hydroxyamino) ethylphosphonate (IPP).

일반 설명tert-Butyl N-(benzyloxy)carbamate (tert-butyl benzyloxycarbamate), a protected hydroxylamine, is an N-alkyl-N-benzyloxy carbamate. Its C-N cross coupling reaction with fluorescein ditriflate has been reported. It participates in facile intramolecular cyclization with various carbon nucleophiles to afford functionalized 5- and 6-membered protected cyclic hydroxamic acids.

상·하류 제품 정보

상류 원료

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