ChemicalBook--->CAS DataBase List--->870-46-2

870-46-2

870-46-2 Structure

870-46-2 Structure
IdentificationMore
[Name]

tert-Butyl carbazate
[CAS]

870-46-2
[Synonyms]

AKOS B028820
BOC-HYDRAZIDE
BOC-HYDRAZINE
BOC-NHNH2
+-BUTYL CARBAZATE
CARBAZIC ACID TERT-BUTYL ESTER
CARBAZINIC ACID TERT-BUTYL ESTER
CARBONIC ACID TERT-BUTYL ESTER HYDRAZIDE
HYDRAZINECARBOXYLIC ACID TERT-BUTYL ESTER
LABOTEST-BB LT00053500
N-T-BUTOXYCARBONYL-HYDRAZIDE
T-BOC-HYDRAZIDE
T-BUTOXYCARBONYL HYDRAZIDE
T-BUTYLCARBAZATE
T-BUTYLOXYCARBONYL-HYDRAZIDE
TERT-BOC-HYDRAZIDE
TERT-BUTOXYCARBONYL HYDRAZIDE
TERT-BUTOXYCARBONYLHYDRAZINE
TERT-BUTYLOXYCARBAZATE
tert-butyloxycarbonyl-hydrazide
[EINECS(EC#)]

212-795-3
[Molecular Formula]

C5H12N2O2
[MDL Number]

MFCD00007593
[Molecular Weight]

132.16
[MOL File]

870-46-2.mol
Chemical PropertiesBack Directory
[Appearance]

White to pale yellow lumps
[Melting point ]

39-42 °C (lit.)
[Boiling point ]

63-65 °C/0.1 mmHg (lit.)
[density ]

1.02
[refractive index ]

1.4496 (estimate)
[Fp ]

197 °F
[storage temp. ]

Store at RT.
[solubility ]

Soluble in ethanol and methanol.
[form ]

Crystalline Lumps
[pka]

10.74±0.20(Predicted)
[color ]

White to slightly yellow
[Sensitive ]

Moisture Sensitive
[BRN ]

1756967
[InChIKey]

DKACXUFSLUYRFU-UHFFFAOYSA-N
[CAS DataBase Reference]

870-46-2(CAS DataBase Reference)
[EPA Substance Registry System]

870-46-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

T-F,T,F
[Risk Statements ]

R48:Danger of serious damage to health by prolonged exposure.
R36/37/38:Irritating to eyes, respiratory system and skin .
R24/25:Toxic in contact with skin and if swallowed .
R11:Highly Flammable.
[Safety Statements ]

S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

1325
[WGK Germany ]

3
[F ]

21
[TSCA ]

Yes
[HazardClass ]

4.1
[PackingGroup ]

III
[HS Code ]

29280090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Isopropyl alcohol-->Hydrazinium hydroxide solution-->Di-tert-butyl dicarbonate-->Hydrazine hydrate-->N-Boc-L-Histidine-->N,N'-Di-tert-butoxycarbonyl-L-histidine
[Preparation Products]

(2-METHOXY-1-METHYL-ETHYL)-HYDRAZINE-->CYCLOBUTYLHYDRAZINE-->PYRIDIN-2-YLMETHYL-HYDRAZINE-->PYRIDIN-3-YLMETHYL-HYDRAZINE-->PYRIDIN-4-YLMETHYL-HYDRAZINE-->3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID-->DI-TERT-BUTYL HYDRAZODICARBOXYLATE-->tert-butyl azidoformate-->1-N-Boc-2-Methylhydrazine-->tert-butyl 2-cyano-1H-pyrrol-1-ylcarbaMate-->1-Boc-2-isopropylhydrazine-->Des-N-(methoxycarbonyl)-L-tert-leucine Bis-Boc Atazanavir-->TERT-BUTYL N-(TERT-BUTOXYCARBONYLOXY)CARBAMATE-->tert-Butyl 2-methylcarbazate-->TERT-BUTYL 2-CYCLOHEXYLHYDRAZINECARBOXYLATE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

tert-Butyl carbazate(870-46-2).msds
Hazard InformationBack Directory
[Chemical Properties]

White to pale yellow lumps
[Uses]

Starting material for preparing BOC-azide, a reagent to introduce the BOC amino protection.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 82, p. 2725, 1960 DOI: 10.1021/ja01496a018
Chemical and Pharmaceutical Bulletin, 18, p. 217, 1970 DOI: 10.1248/cpb.18.217
[Purification Methods]

Distil it in a Claisen flask with a water or oil bath at ca 80o. After a couple of drops have distilled, the carbazate is collected as an oil which solidifies to a snow white solid. It can be crystallised with 90% recovery from a 1:1 mixture of pet ether (b 30-60o) and pet ether (b 60-70o). [Carpino et al. Org Synth Coll Vol V 166 1973, Caprino et al. Org Synth 44 20 1964, Beilstein 3 IV 175.]
Spectrum DetailBack Directory
[Spectrum Detail]

tert-Butyl carbazate(870-46-2)MS
tert-Butyl carbazate(870-46-2)1HNMR
tert-Butyl carbazate(870-46-2)13CNMR
tert-Butyl carbazate(870-46-2)IR1
tert-Butyl carbazate(870-46-2)IR2
tert-Butyl carbazate(870-46-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

tert-Butyl carbazate, 99%(870-46-2)
[Alfa Aesar]

tert-Butyl carbazate, 98+%(870-46-2)
[Sigma Aldrich]

870-46-2(sigmaaldrich)
[TCI AMERICA]

tert-Butyl Carbazate,>97.0%(T)(870-46-2)
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