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ChemicalBook--->CAS DataBase List--->112779-14-3

112779-14-3

112779-14-3 Structure

112779-14-3 Structure
IdentificationBack Directory
[Name]

ETHYL 5-AMINO-1-TERT-BUTYLPYRAZOLE-4-CARBOXYLATE
[CAS]

112779-14-3
[Synonyms]

BUTTPARK 87\09-30
-1H-pyrazole-4-carboxylate
Ethyl 5-amino-1-(tert-butyl)
ETHYL 5-AMINO-1-TERT-BUTYLPYRAZOLE-4-CARBOXYLATE
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(1,1-dimethylethyl)-, ethyl ester
[Molecular Formula]

C10H17N3O2
[MDL Number]

MFCD06637286
[MOL File]

112779-14-3.mol
[Molecular Weight]

211.26
Chemical PropertiesBack Directory
[Boiling point ]

110 °C(Press: 0.1 Torr)
[density ]

1.15±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[pka]

2.09±0.10(Predicted)
[Appearance]

Light yellow to brown Liquid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H335-H319-H315
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL 5-AMINO-1-TERT-BUTYLPYRAZOLE-4-CARBOXYLATE(112779-14-3)1HNMR
Hazard InformationBack Directory
[Synthesis]

tert-Butylhydrazine hydrochloride

7400-27-3

Ethyl (ethoxymethylene)cyanoacetate

94-05-3

ETHYL 5-AMINO-1-TERT-BUTYLPYRAZOLE-4-CARBOXYLATE

112779-14-3

Step 1. A mixture of tert-butylhydrazine hydrochloride (10 g, 80.3 mmol), ethyl ethoxymethoxycarbonylcyanoacetate (13.6 g, 80.4 mmol), and anhydrous sodium acetate (8.2 g, 100 mmol) was stirred and reacted at reflux for 16 hours in 100 mL of ethanol. After completion of the reaction, the reaction solution was poured into ice water. The aqueous phase was extracted three times with dichloromethane and the organic phases were combined. The organic phase was washed sequentially with water and saturated brine solution and then dried with anhydrous sodium sulfate. The solvent was removed by distillation under reduced pressure to give ethyl 5-amino-1-tert-butyl-1H-pyrazole-4-carboxylate (13 g, 77% yield).

[References]

[1] Patent: US2007/225280, 2007, A1. Location in patent: Page/Page column 19
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