CAS 866149-12-4

Methyl 1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazole-4-carboxylate

Description:

Methyl 1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazole-4-carboxylate, identified by its CAS number 866149-12-4, is a chemical compound characterized by its complex structure that includes a triazole ring and a pyrimidine moiety. This compound features a methyl ester functional group, which contributes to its solubility and reactivity. The presence of trifluoromethyl and methyl substituents on the pyrimidine ring enhances its lipophilicity and may influence its biological activity. Methyl 1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazole-4-carboxylate is of interest in medicinal chemistry, particularly for its potential applications in pharmaceuticals, as compounds with triazole and pyrimidine structures often exhibit significant biological properties, including antimicrobial and antifungal activities. Its synthesis typically involves multi-step organic reactions, and its stability and reactivity can be influenced by environmental factors such as pH and temperature. Overall, this compound represents a valuable entity in the field of chemical research and drug development.

Formula: C₁₀H₈F₃N₅O₂

InChI: InChI=1S/C10H8F3N5O2/c1-5-3-7(10(11,12)13)15-9(14-5)18-4-6(16-17-18)8(19)20-2/h3-4H,1-2H3

InChI key: InChIKey=WQJWOYKTLCSCJF-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=NC(=NC(C)=C1)N2C=C(C(OC)=O)N=N2

Synonyms:

• 1H-1,2,3-Triazole-4-carboxylic acid, 1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-, methyl ester
• Methyl 1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazole-4-carboxylate