1-benzyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
$400.00
CAS No.: 1370600-86-4
Catalog No.: LT0021
Purity: 95%
MF: C12H9F3N2O2
MW: 270.21
Storage: 2-8 degree Celsius
SMILES: C(C1=CC=CC=C1)N1N=C(C=C1C(F)(F)F)C(=O)O
Catalog No.: LT0021
Purity: 95%
MF: C12H9F3N2O2
MW: 270.21
Storage: 2-8 degree Celsius
SMILES: C(C1=CC=CC=C1)N1N=C(C=C1C(F)(F)F)C(=O)O
CAS NO.: 1370600-86-4;1-benzyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid. PROPERTIES: This fluorinated pyrazole derivative presents as a white crystalline solid with a molecular weight of approximately 267.1 g/mol. The 1-benzyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid combines a benzyl substituent with a trifluoromethyl group on a pyrazole ring. It exhibits limited aqueous solubility but good dissolution in polar aprotic solvents like DMSO and DMF. Stability characterization reveals vulnerability to acid-catalyzed ring-opening and base-promoted hydrolysis of the carboxylic acid group, necessitating storage at 2-8 degree Celsius in sealed glass containers. Handlers should use powder hoods with HEPA filtration and wear cut-resistant gloves during handling. Skin contact may cause localized edema requiring corticosteroid application. Inhalation may induce respiratory alkalosis; treatment includes humidified oxygen administration. Eye exposure requires chelation inhibitors and ophthalmology evaluation. Waste should be hydrolyzed with dilute acid prior to disposal. APPLICATIONS: The 1-benzyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid serves as a key intermediate in the synthesis of various pharmaceuticals. Its pyrazole framework provides opportunities for directed metalation and cross-coupling reactions. Research teams utilize this compound as a starting material for creating kinase inhibitors and serotonin receptor modulators. The trifluoromethyl group enhances metabolic resistance in resulting drug candidates. Additionally, it serves as a building block for creating GABA receptor modulators with enhanced subtype selectivity.
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