tert-Butyl carbazate (HCID 70091)

개요

structure in first source

이름 및 식별자

우선 이름: tert-Butyl carbazate
IUPAC: tert-butyl N-aminocarbamate
영어명: tert-Butyl carbazate
분자식: C5H12N2O2
분자량: 132.16

이름 및 동의어

tert-Butyl carbazate870-46-2Hydrazinecarboxylic acid, 1,1-dimethylethyl ester(tert-Butoxycarbonyl)hydrazineNSC-60250DZ6ERH52CNDTXSID7061227RefChem:188199DTXCID0048559212-795-3tert-Butyl hydrazinecarboxylatet-Butyl carbazate

이름 더 보기

BOC-NHNH2carbazateHYDRAZINECARBOXYLIC ACID TERT-BUTYL ESTERTERT-BUTOXYCARBONYLHYDRAZINE

tert-butyl N-aminocarbamateBoc-hydrazidet-Butylcarbazate(tert-butoxy)carbohydrazideBoc-hydrazinetert-Butoxycarbonyl hydrazideMFCD00007593Carbazic acid tert-butyl ester

데이터베이스 식별자

CAS: 870-46-2
PubChem CID: 70091
DTXSID: DTXSID7061227
UNII: DZ6ERH52CN
EC Number: 212-795-3
Nikkaji: J150.814H

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 64.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 106

물리화학적 성질

녹는점: 39 · 39-42 °C (lit.)
끓는 점: 63 · 63-65 °C/0.1 mmHg (lit.)
밀도: 1.02 · 1.02
굴절률: 1.4496 · 1.4496 (estimate)
인화점: 197 °F · 197 °F
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
용해도: 에탄올과 메탄올에 용해됩니다.
산도 계수 (pKa): 10.74 · 10.74±0.20(Predicted)
물리적 상태: 결정질 덩어리
색상: 흰색에서 약간 노란색
BRN: 1756967 · 1756967
주요 응용: 펩타이드 합성
InChI: 1S/C5H12N2O2/c1-5(2,3)9-4(8)7-6/h6H2,1-3H3,(H,7,8)
InChIKey: DKACXUFSLUYRFU-UHFFFAOYSA-N
SMILES: O=C(NN)OC(C)(C)C
EPA: 1 · Hydrazinecarboxylic acid, 1,1-dimethylethyl ester (870-46-2)

화학적 성질

White to pale yellow lumps

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H228 (100%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, P370+P378, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 59 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 21-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21858

Hydrazinecarboxylic acid, 1,1-dimethylethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Sol. 2 (100%)

CSL Reaction Information · 6건

CSL00008

NITRIC ACID + TERT-BUTYL CARBAZATE

Explosion during workup when half of the solvent was evaporated

Explosive

BOCN3 formation

User-Reported

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 1325
HS 번호: 29280090
risk_code: 48-36/37/38-24/25-11
hazard_code: T-F,T,F
safety_code: 45-36/37/39-16-24/25
포장분류: III
위험 등급: 4.1
F 고인화성물질: 21
Hazard Classifications: Flam. Sol. 1
스토리지 클래스: 4.1B - Flammable solid hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationHydrazinecarboxylic acid, 1,1-dimethylethyl ester: ACTIVE

응용 분야 · 1건

용도tert-Butyl carbazate is used in a palladium-catalyzed cross-coupling with vinyl halides to prepare N-Boc-N-alkenylhydrazines. It is utilized in solid phase peptide synthesis and in the optical purity determination of alfa-amino aldehyde. It reacts with aldehydes to get hydrazones, which finds application as an intermediate in the synthesis of HIV-1 protease inhibitors. In addition to this, it is used as a starting material for the preparation of BOC-azide, sulfonic and carboxylic hydrazides.

상·하류 제품 정보

상류 원료

하류 제품

Pyridin-2-ylmethyl-hydrazine Pyridin-3-ylmethyl-hydrazine (2-Methoxy-1-methyl-ethyl)-hydrazine 피리딘-4-일메틸-히드라진 Cyclobutylhydrazine 3,5-디메틸-1H-피라졸-4-카르복실산 Di-tert-butyl hydrazodicarboxylate tert-부틸아지도포르메이트 1-N-Boc-2-메틸히드라진 tert-부틸2-시아노-1H-피롤-1-일카르바메이트 1-Boc-2-이소프로필히드라진 Des-N-(methoxycarbonyl)-L-tert-leucine Bis-Boc Atazanavir

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

苏州兴华高新材料科技有限公司13816002113

INTATRADE GmbH+49 3493/605464 · [email protected]

연결된 노트

불러오는 중…

tert-Butyl carbazate

기본 정보

개요