|
|
| | 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid Basic information |
| Product Name: | 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid | | Synonyms: | 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid;Fluxypyroxad Metabolite M700F001;3-(difluoromethyl)-1-methylpyrazole-4-carboxylicaci;TIANFU-CHEM - 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid;3-Difluoromethyl-1-methyl-1H-pyrazol-4-carboxylic acid;3-Difluoromethyl-1-methylpyrazole-4-carboxylic acid;1H-Pyrazole-4-carboxylicacid, 3-(difluoroMethyl)-1-Methyl-;Difluoro-pyrazole-carboxylic acid | | CAS: | 176969-34-9 | | MF: | C6H6F2N2O2 | | MW: | 176.12 | | EINECS: | 700-093-4 | | Product Categories: | Building Blocks;Pyrazole;top;176969-34-9 | | Mol File: | 176969-34-9.mol |  |
| | 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid Chemical Properties |
| Melting point | 201-203°C | | Boiling point | 315.9±42.0 °C(Predicted) | | density | 1.52 | | vapor pressure | 0-0.397Pa at 20-99.7℃ | | storage temp. | Sealed in dry,Room Temperature | | solubility | DMSO (Slightly), Methanol (Sparingly) | | pka | 3.12±0.36(Predicted) | | form | Solid | | color | White to Off-White | | InChI | InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12) | | InChIKey | RLOHOBNEYHBZID-UHFFFAOYSA-N | | SMILES | N1(C)C=C(C(O)=O)C(C(F)F)=N1 | | 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 Substance Registry System | 1H-Pyrazole-4-carboxylic acid, 3-(difluoromethyl)-1-methyl- (176969-34-9) |
| | 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid Usage And Synthesis |
| Chemical Properties | Light brown powder | | Uses | 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic Acid can be used to prepare pesticides. | | Uses | 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid is an important medical and fine chemical intermediate, can be used for synthesizing various bactericides and pesticides, and is a key intermediate for synthesizing novel amides bactericides such as fluopyram, bixafen, isopyrazam and the like. | | Synthesis | Ethyl N,N-dimethylaminoacrylate was synthesized by oxidation, esterification and addition using propargyl alcohol as the starting material under mild conditions, with high yield, and the raw materials and solvents used were cheap and easy to be obtained, which made it easy to be produced industrially. N,N-Dimethylaminoacrylic acid ethyl ester was used as raw material to synthesize 3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid through substitution, cyclization, methylation and alkaline hydrolysis. Difluoroacetic acid, which is inexpensive and has a small molar mass, was used as the fluorine source, which makes the preparation of 3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid inexpensive and simple, and the production cost and process conditions were explored, which lays the foundation for the future industrialized production. |
| | 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid Preparation Products And Raw materials |
|