3-(TERT-BUTYL)-1H-PYRAZOLE Chemical Properties

Melting point:

53-54 °C

Boiling point:

127 °C(Press: 0.15 Torr)

Density 

0.972±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

form 

solid

pka

14.80±0.10(Predicted)

Appearance

Colorless to off-white <53°C Solid,>54°C oil

InChI

InChI=1S/C7H12N2/c1-7(2,3)6-4-5-8-9-6/h4-5H,1-3H3,(H,8,9)

InChIKey

YIDCITOHTLPMMZ-UHFFFAOYSA-N

SMILES

N1C=CC(C(C)(C)C)=N1

Safety Information

Hazard Codes 

Xn

Risk Statements 

22-36/37/38

Safety Statements 

26

HazardClass 

IRRITANT

HS Code 

2933199090

3-(TERT-BUTYL)-1H-PYRAZOLE Usage And Synthesis

Synthesis

A mixture of 3,3-dimethyl-2-butanone (6.19 mL) and bis(dimethylamino)methoxymethane (6.61 g) was heated to reflux for 10 hours. Upon completion of the reaction, the reaction mixture was concentrated under reduced pressure. To the concentrated residue was added hydrazine monohydrate (1.60 g) and n-butanol (24.9 mL) and the mixture was heated at reflux for 7 hours. The reaction mixture was again concentrated under reduced pressure to afford 3-tert-butyl-1H-pyrazole (3.79 g, 61% yield) as a yellow oily product. The H-NMR (CDCl3) data of the product were as follows: δ 1.34 (9H, s), 6.10 (1H, d, J = 2.0 Hz), 7.49 (1H, d, J = 2.0 Hz), 10.3 (1H, br s).

References

[1] Patent: WO2003/99793, 2003, A1. Location in patent: Page 252

3-(TERT-BUTYL)-1H-PYRAZOLE(15802-80-9)Related Product Information

• Methyl 3-(tert-butyl)-1H-pyrazole-4-carboxylate
• 1-BENZYL-3-(TERT-BUTYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID,1-Benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxylic acid, 95+%
• 5-Amino-3-(benzyloxymethyl)-1-tert-butyl-1H-pyrazole-4-carbonitrile
• 3-Tert-butyl-1H-pyrazole-5-carboxamide ,97%
• 1-BENZYL-3-(TERT-BUTYL)-1H-PYRAZOLE-5-CARBONYL CHLORIDE,1-Benzyl-3-(tert-butyl)-1H-pyrazole-5-carbonyl chloride, 95+%
• 1-(tert-Butoxycarbonyl)pyrazole, tert-Butyl 1H-pyrazole-1-carboxylate,tert-Butyl 1H-pyrazole-1-carboxylate
• 3-(TERT-BUTYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDE,5-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLIC ACID HYDRAZIDE,3-Tert-butyl-1H-pyrazole-5-carbohydrazide ,97%
• 5-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLIC ACID,3-TERT-BUTYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
• Ethyl 5-(tert-butyl)-2H-pyrazole-3-carboxylate
• ETHYL 5-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLATE,ETHYL 3-(TERT-BUTYL)-1H-PYRAZOLE-5-CARBOXYLATE,5-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
• 4-tert-butyl-1H-pyrazole
• ETHYL 1-BENZYL-3-(TERT-BUTYL)-1H-PYRAZOLE-5-CARBOXYLATE
• 1-tert-butyl-1H-pyrazole-4-carbaldehyde
• 1-tert-butyl-1H-pyrazole-4-carboxylic acid
• 3-TERT-BUTYL-1H-PYRAZOLE-4-CARBALDEHYDE
• methyl 3-tert-butyl-1H-pyrazole-5-carboxylate
• 5-tert-Butyl-3-(trifluoromethyl)pyrazole 97%,5-tert-Butyl-3-(trifluoromethyl)pyrazole97%,5-TERT-BUTYL-3-(TRIFLUOROMETHYL)PYRAZOLE
• 3,5-DI-TERT-BUTYL-1H-PYRAZOLE