tert-Butylcarbazat

tert-Butyl carbazate

HCID 70091CAS 870-46-2
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Grundinformationen

Standard-SMILES
CC(C)(C)OC(=O)NN
InChIKey
DKACXUFSLUYRFU-UHFFFAOYSA-N
Summenformel
C5H12N2O2
Durchschnittliche Molmasse
132,16 g/mol
Monoisotopische Masse
132,08987762

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name
tert-Butyl carbazate
IUPAC
tert-butyl N-aminocarbamate
Lokaler Name
tert-Butylcarbazat
Englischer Name
tert-Butyl carbazate
Summenformel
C5H12N2O2
Molmasse
132.16

Namen und Synonyme

tert-Butyl carbazate870-46-2Hydrazinecarboxylic acid, 1,1-dimethylethyl ester(tert-Butoxycarbonyl)hydrazineNSC-60250DZ6ERH52CNDTXSID7061227RefChem:188199DTXCID0048559212-795-3tert-Butyl hydrazinecarboxylatet-Butyl carbazate
Weitere Namen anzeigen
BOC-NHNH2carbazateHYDRAZINECARBOXYLIC ACID TERT-BUTYL ESTERTERT-BUTOXYCARBONYLHYDRAZINE
tert-butyl N-aminocarbamateBoc-hydrazidet-Butylcarbazate(tert-butoxy)carbohydrazideBoc-hydrazinetert-Butoxycarbonyl hydrazideMFCD00007593Carbazic acid tert-butyl ester

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,2
Polarare Oberfläche (TPSA)
64,4 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
9

Physikochemische Eigenschaften

Schmelzpunkt
39 · 39-42 °C (lit.)
Siedepunkt
63 · 63-65 °C/0.1 mmHg (lit.)
Dichte
1.02 · 1.02
Brechungsindex
1.4496 · 1.4496 (estimate)
Flammpunkt
197 °F · 197 °F
storage temp.
-20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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 · 6 Einträge

CSL00008

NITRIC ACID + TERT-BUTYL CARBAZATE

Explosion during workup when half of the solvent was evaporated

Explosive

BOCN3 formation

User-Reported

Sicherheitsdaten

F
21
wgk
3
tsca
TSCA listed
ridadr
1325
hs_code
29280090
risk_code
48-36/37/38-24/25-11

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationHydrazinecarboxylic acid, 1,1-dimethylethyl ester: ACTIVE
Anwendungen · 1 Eintrag

Verwendentert-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.

Vor- und nachgelagerte Produkte

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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]

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