CAS 866135-73-1

4,5-Diethyl 1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazole-4,5-dicarboxylate

Description:

4,5-Diethyl 1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazole-4,5-dicarboxylate is a chemical compound characterized by its complex structure, which includes a triazole ring and a pyrimidine moiety. This compound features two ethyl groups at the 4 and 5 positions of the triazole, contributing to its hydrophobic characteristics. The presence of a trifluoromethyl group enhances its lipophilicity and may influence its biological activity. The dicarboxylate functional groups suggest potential for forming salts or esters, which can affect solubility and reactivity. This compound is likely to exhibit interesting pharmacological properties, making it of interest in medicinal chemistry, particularly in the development of agrochemicals or pharmaceuticals. Its CAS number, 866135-73-1, allows for easy identification in chemical databases. Overall, the unique combination of functional groups and structural features positions this compound as a candidate for further research in various chemical applications.

Formula: C₁₄H₁₄F₃N₅O₄

InChI: InChI=1S/C14H14F3N5O4/c1-4-25-11(23)9-10(12(24)26-5-2)22(21-20-9)13-18-7(3)6-8(19-13)14(15,16)17/h6H,4-5H2,1-3H3

InChI key: InChIKey=PYGPGGISYNNJCP-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1N(N=NC1C(OCC)=O)C=2N=C(C(F)(F)F)C=C(C)N2

Synonyms:

• 1H-1,2,3-Triazole-4,5-dicarboxylic acid, 1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-, diethyl ester
• 4,5-Diethyl 1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazole-4,5-dicarboxylate
• 1H-1,2,3-Triazole-4,5-dicarboxylic acid, 1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-, 4,5-diethyl ester