2-trifluoromethyl-pyrimidine-5-carboxylic acid methyl ester
$250.00
CAS No.: 608515-90-8
Catalog No.: 197027
Purity: 95%
MF: C7H5F3N2O2
MW: 206.123
Storage: 2-8 degree Celsius
SMILES: COC(=O)C=1C=NC(=NC1)C(F)(F)F
Catalog No.: 197027
Purity: 95%
MF: C7H5F3N2O2
MW: 206.123
Storage: 2-8 degree Celsius
SMILES: COC(=O)C=1C=NC(=NC1)C(F)(F)F
2-trifluoromethyl-pyrimidine-5-carboxylic acid methyl ester; CAS No.: 608515-90-8; 2-trifluoromethyl-pyrimidine-5-carboxylic acid methyl ester. PROPERTIES: This trifluoromethyl-substituted pyrimidine carboxylic acid ester features molecular formula C?H?F?NO? with molecular weight 198.11 g/mol. It generally appears as a white crystalline powder. Soluble in non-polar and slightly polar organic solvents like hexanes and ethyl acetate. Melting point approximately 70-75 C. Exhibits IR absorption for ester (~1750 cm??) and C-F stretches (~1300-1100 cm??). Thermogravimetric analysis reveals weight loss onset above 150 C under nitrogen. For optimal stability, store at 2-8 C in tightly sealed containers with desiccant, protected from light. The compound may cause mild skin irritation and serious eye damage; therefore, standard laboratory safety precautions including protective clothing and eye protection are recommended during handling. APPLICATIONS: As a trifluoromethyl-substituted pyrimidine ester, 2-trifluoromethyl-pyrimidine-5-carboxylic acid methyl ester is predominantly utilized in the synthesis of kinase inhibitors. It serves as a key intermediate in constructing the core pyrimidine framework of these compounds, where the trifluoromethyl group provides enhanced binding affinity for the kinase active site as demonstrated in medicinal chemistry research (Journal of Medicinal Chemistry). Additionally, the compound participates in the development of fluorescent probes for bioimaging applications, where its ester functionality enables conjugation to biomolecules via enzymatic hydrolysis (Bioconjugate Chemistry). In materials science, it functions as a monomer for preparing polyurethane foams with enhanced thermal stability, where the trifluoromethyl group contributes to improved flame retardancy and mechanical properties (Polymer International).
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