Di-tert-butyl bicarbamate

HCID 85431CAS 16466-61-8

기본 정보

표준 SMILES: CC(C)(C)OC(=O)NNC(=O)OC(C)(C)C
InChIKey: TYSZETYVESRFNT-UHFFFAOYSA-N
분자식: C10H20N2O4
평균 분자량: 232.28 g/mol
단동위원소 질량: 232.14230712

이름 및 식별자

우선 이름: Di-tert-butyl bicarbamate
IUPAC: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
영어명: Di-tert-butyl hydrazodicarboxylate
분자식: C10H20N2O4
분자량: 232.28

이름 및 동의어

16466-61-8Di-tert-butyl bicarbamateEINECS 240-512-3DTXSID70167790RefChem:586104DTXCID2090281240-512-3DI-TERT-BUTYL HYDRAZODICARBOXYLATEDi-tert-butyl hydrazine-1,2-dicarboxylateDi-tert-butyl hydrazodiformateMFCD00015000tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate

이름 더 보기

1,2-bis(t-butyloxycarbonyl)hydrazineDBHDSKL269N,N'-DI-BOC-HYDRAZINELABOTEST-BB LT00453977TERT-BUTYL HYDRAZODIFORMATEDi-t-butylhydrazodicarboxylate

tert-butyl N-(tert-butoxycarbonylamino)carbamateDL-tert-Butyl HydrazodicarboxylateSCHEMBL2841411,2-Hydrazinedicarboxylic acid, bis(1,1-dimethylethyl) ester1,2-Hydrazinedicarboxylic acid, 1,2-bis(1,1-dimethylethyl) esterN'-[(tert-butoxy)carbonyl](tert-butoxy)carbohydrazideAKOS015899816CS-W001467

데이터베이스 식별자

CAS: 16466-61-8
PubChem CID: 85431
DTXSID: DTXSID70167790
EC Number: 240-512-3
Nikkaji: J318.200B

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 76.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 235

물리화학적 성질

녹는점: 123 · 123-126 °C (dec.)(lit.)
끓는 점: 294.6 · 294.6±9.0 °C(Predicted)
밀도: 1.064 · 1.064±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 8.73 · 8.73±0.43(Predicted)
물리적 상태: 분말 또는 결정성 분말
색상: 하얀색
수용성: 물에 불용성.
BRN: 1794023 · 1794023
InChI: InChI=1S/C10H20N2O4/c1-9(2,3)15-7(13)11-12-8(14)16-10(4,5)6/h1-6H3,(H,11,13)(H,12,14)
InChIKey: TYSZETYVESRFNT-UHFFFAOYSA-N
SMILES: N(C(OC(C)(C)C)=O)NC(OC(C)(C)C)=O

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 40 reports by companies from 3 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

용도Di-tert-butyl hydrazodicarboxylate, is used as starting reagent during the four-step synthesis of the aminobicyclopyrazolone hydrochloride. It was used as reagent during Pd-catalyzed amination reactions of halo-pyridine substrates.

일반 설명Di-tert-butyl hydrazodiformate acts as hydrazine substrate during the preparation of protected pyridylhydrazine derivatives.

상·하류 제품 정보

상류 원료

공급사50 곳

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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

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