Basic information Safety Supplier Related

1-tert-butyl-1H-pyrazole-4-carboxylic acid

Basic information Safety Supplier Related

1-tert-butyl-1H-pyrazole-4-carboxylic acid Basic information

Product Name:
1-tert-butyl-1H-pyrazole-4-carboxylic acid
Synonyms:
  • 1-tert-butyl-1H-pyrazole-4-carboxylic acid
  • 1-tert-butylpyrazole-4-carboxylic acid
  • 1H-Pyrazole-4-carboxylic acid, 1-(1,1-dimethylethyl)-
  • 1-(1,1-Dimethylethyl)-1H-pyrazole-4-carboxylic acid
  • 1-(tert-Butyl)-1H-pyrazol-4-carboxylic acid
CAS:
950858-65-8
MF:
C8H12N2O2
MW:
168.19
Mol File:
950858-65-8.mol
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1-tert-butyl-1H-pyrazole-4-carboxylic acid Chemical Properties

Boiling point:
306.2±15.0 °C(Predicted)
Density 
1.15±0.1 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
pka
3.91±0.10(Predicted)
Appearance
White to off-white Solid
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1-tert-butyl-1H-pyrazole-4-carboxylic acid Usage And Synthesis

Synthesis

682757-49-9

950858-65-8

General procedure for the synthesis of 1-tert-butyl-1H-pyrazole-4-carboxylic acid from ethyl 1-tert-butyl-1H-pyrazole-3-carboxylate: 1. In 8 mL of THF-MeOH-H2O (3:1:1, v/v) mixed solvent, ethyl 1-tert-butyl-1H-pyrazole-3-carboxylate (327 mg, 1.66 mmol) and LiOH (120 mg, 5.0 mmol) were added. 2. The reaction mixture was stirred at 25 °C for 12 hours. 3. After completion of the reaction, H2O and EtOAc were added to the mixture and acidified with 10% HCl solution. 4. The organic layer was separated, dried with Na2SO4 and concentrated under reduced pressure to afford the target product 1-tert-butyl-1H-pyrazole-4-carboxylic acid (217 mg, 78% yield). Mass spectral data: m/z 168.

References

[1] Patent: WO2007/71963, 2007, A2. Location in patent: Page/Page column 59

1-tert-butyl-1H-pyrazole-4-carboxylic acidSupplier

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