| Identification | Back Directory | [Name]
1-tert-butyl-1H-pyrazole-4-carboxylic acid | [CAS]
950858-65-8 | [Synonyms]
1-tert-butylpyrazole-4-carboxylic acid
1-tert-butyl-1H-pyrazole-4-carboxylic acid
1H-Pyrazole-4-carboxylic acid, 1-(1,1-dimethylethyl)- | [Molecular Formula]
C8H12N2O2 | [MDL Number]
MFCD09934934 | [MOL File]
950858-65-8.mol | [Molecular Weight]
168.19 |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [Synthesis]
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 |
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