CAS 1245645-50-4

Ethyl 1-(3-methoxyphenyl)-1H-1,2,4-triazole-3-carboxylate

Description:

Ethyl 1-(3-methoxyphenyl)-1H-1,2,4-triazole-3-carboxylate is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features an ethyl ester functional group, contributing to its solubility and reactivity. The presence of the 3-methoxyphenyl group indicates that it has a methoxy substituent on a phenyl ring, which can influence its electronic properties and potential interactions in biological systems. The triazole moiety is known for its applications in pharmaceuticals, particularly as antifungal agents and in agricultural chemistry. The carboxylate group enhances the compound's ability to participate in various chemical reactions, including esterification and amidation. Overall, this compound's unique structure suggests potential utility in medicinal chemistry and agrochemical applications, although specific biological activities and properties would require further investigation through experimental studies.

Formula: C₁₂H₁₃N₃O₃

InChI: InChI=1S/C12H13N3O3/c1-3-18-12(16)11-13-8-15(14-11)9-5-4-6-10(7-9)17-2/h4-8H,3H2,1-2H3

InChI key: InChIKey=UTXDEGUMNFEZOQ-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=NN(C=N1)C2=CC(OC)=CC=C2

Synonyms:

• 1H-1,2,4-Triazole-3-carboxylic acid, 1-(3-methoxyphenyl)-, ethyl ester
• Ethyl 1-(3-methoxyphenyl)-1H-1,2,4-triazole-3-carboxylate

Ethyl 1-(3-methoxyphenyl)-1H-1,2,4-triazole-3-carboxylate

CAS: 1245645-50-4

Formula: C₁₂H₁₃N₃O₃

Molecular weight: 247.2499

Ref: IN-DA000MAO