CAS 126799-88-0

4,5-Dimethyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4,5-dicarboxylate

Description:

4,5-Dimethyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4,5-dicarboxylate is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features two methyl groups at the 4 and 5 positions of the triazole ring, contributing to its hydrophobic characteristics. The presence of a methoxyphenyl group at the 1-position enhances its potential for biological activity and solubility in organic solvents. The dicarboxylate functional groups at the 4 and 5 positions provide acidic properties, making it a potential candidate for various chemical reactions, including esterification and amidation. This compound may exhibit interesting pharmacological properties, making it of interest in medicinal chemistry. Its molecular structure suggests potential applications in agrochemicals or pharmaceuticals, particularly in the development of new drugs or as intermediates in organic synthesis. As with many triazole derivatives, it may also possess antifungal or antimicrobial properties, although specific biological activities would require further investigation.

Formula: C₁₄H₁₅N₃O₅

InChI: InChI=1S/C14H15N3O5/c1-20-10-6-4-9(5-7-10)8-17-12(14(19)22-3)11(15-16-17)13(18)21-2/h4-7H,8H2,1-3H3

InChI key: InChIKey=OHXSIGBKWOVIGV-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1N(CC2=CC=C(OC)C=C2)N=NC1C(OC)=O

Synonyms:

• 1H-1,2,3-Triazole-4,5-dicarboxylic acid, 1-[(4-methoxyphenyl)methyl]-, 4,5-dimethyl ester
• 1-[(4-Methoxyphenyl)methyl]-1H-1,2,3-triazole-4,5-dicarboxylic acid dimethyl ester
• 4,5-Dimethyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4,5-dicarboxylate
• 1H-1,2,3-Triazole-4,5-dicarboxylic acid, 1-[(4-methoxyphenyl)methyl]-, dimethyl ester