3-Difluoromethyl-1-methyl-1H-pyrazol-4-carboxylic acid
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CAS: 176969-34-9
Molecular Formula: C6H6F2N2O2
3-Difluoromethyl-1-methyl-1H-pyrazol-4-carboxylic acid - Names and Identifiers
3-Difluoromethyl-1-methyl-1H-pyrazol-4-carboxylic acid - Physico-chemical Properties
| Molecular Formula | C6H6F2N2O2 |
| Molar Mass | 176.12 |
| Density | 1.52 |
| Melting Point | 201-203°C |
| Boling Point | 315.9±42.0 °C(Predicted) |
| Flash Point | 144.9°C |
| Solubility | DMSO (Slightly), Methanol (Sparingly) |
| Vapor Presure | 0-0.397Pa at 20-99.7℃ |
| Appearance | Solid |
| Color | White to Off-White |
| pKa | 3.12±0.36(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.533 |
3-Difluoromethyl-1-methyl-1H-pyrazol-4-carboxylic acid - Reference Information
Open Data Unverified Data
| LogP | -2.2-0.64 at 20-23℃ and pH2-7.1 |
| surface tension | 70.7mN/m at 1g/L and 20 ℃ |
| dissociation constant | 3.12-3.89 at 20 ℃ |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | density of 3-difluoromethyl -1-methyl -1H-pyrazole -4-carboxylic acid 1.307 g/cm 3 ; Boiling point 288.4 ℃, flash point 128.2 ℃, vapor pressure 0.27 Pa( 25 ℃ ). 3-Difluoromethyl-1-methyl-1H-pyrazol-4-carboxylic acid can be used to prepare difluoromethylpyrazolamide compounds, and this compound can be used as a succinate dehydrogenase inhibitor fungicide. Succinate dehydrogenase inhibitor fungicides are highly effective fungicides. It has high activity against a wide range of phytopathogenic fungi. It is used to control fungi in various cultivated plants such as cotton, vegetables, barley, corn, rice, soybean, wheat and seeds. |
| Application | 3-(difluoromethyl)-1-methyl-1H-pyrazol-4-carboxylic acid can be used as a pharmaceutical intermediate, such as the preparation of 3-(difluoromethyl)-1-methyl-1H-pyrazol-4-carboxylic acid 2-hydroxyethyl (Ⅳ). |
| preparation | N,N-dimethylamino ethyl acrylate was synthesized by oxidation, esterification and addition with proparylyl alcohol as the starting raw material. the conditions were mild, the yield was high, the raw materials and solvents used were cheap and easy to obtain, and it was easy for industrial production. 3-difluoromethyl -1-methyl -1H-pyrazole -4-carboxylic acid was synthesized from ethyl N,N-dimethylaminoacrylate by substitution, cyclization, methylation and alkaline hydrolysis. Using the low price and low molar mass of difluoroacetic acid as the fluorine source, the preparation method of 3-difluoromethyl-1-methyl-1H-pyrazol-4-carboxylic acid has low cost and simple process, and the production cost, process conditions and other aspects have been explored to lay the foundation for future industrial production. |
Last Update：2024-04-09 19:43:38
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