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- Details for 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
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1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid 113100-53-1
Category : Organic chemicals and Derivatives
CAS NO : 113100-53-1 EC NO : MF : C6H5F3N2O2 MW : 194.11 Specification : 99% min Packing : 25kg，50kg 200kg Product description : What is the chemical of 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid? Appearance: White to off-white powder； Assay:99%min by HPLC； IR Identity: conform to standard； HNMR： conform to standard； carbon spectrum: conform to standard； Water by K. F.:0.5% max or as per the customer’s request； Loss on drying:0.5% max. or as per the customer’s request； ============================================================================ Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is a heterocyclic carboxylic acid compound containing a trifluoromethyl group, widely used in pharmaceuticals, pesticides, and as an organic synthesis intermediate. Its main applications include: serving as an organic synthesis intermediate, particularly for: drug development, where it is used to construct active molecules with a pyrazole skeleton, leveraging the trifluoromethyl group to enhance metabolic stability and biological membrane permeability; agricultural chemicals, for synthesizing herbicides, fungicides, etc., where the trifluoromethyl and carboxyl groups synergistically improve biological activity; and research reagents, for structure-activity relationship (SAR) studies and the development of new reactions. ============================================================================= The common synthetic route is as follows: Raw Material: 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate (CAS: 111493-74-4) is used as the starting material. Hydrolysis Reaction: Potassium hydroxide (KOH, molar ratio approximately 1.2:1) is added to a methanol/water or THF/water system. The mixture is stirred at room temperature overnight to complete the saponification of the ester. Acidification and Precipitation: The pH is adjusted to approximately 1 using dilute hydrochloric acid to precipitate the target product. Isolation and Purification: The white solid is filtered, washed, and dried. The yield is approximately 59%, with a melting point of 195–196 °C. This route is simple to operate, cost-effective, and suitable for laboratory and pilot-scale production. (For reference only) Uses : 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is a heterocyclic carboxylic acid compound containing a trifluoromethyl group, which is widely used in medicine, pesticides, and as an organic synthesis intermediate. Synonyms : BUTTPARK 99\18-24;1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-4-CARBOXYLIC ACID;1-Methyl-3-trifluoromethyl-4-pyrazolecarboxylic Acid Molecular Structure : 
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1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid