CAS 91306-62-6

Methyl 4-(methoxycarbonyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-5-acetate

Description:

Methyl 4-(methoxycarbonyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-5-acetate is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a methoxycarbonyl group and an acetate moiety, contributing to its potential as a versatile building block in organic synthesis. The presence of the 4-methoxyphenyl group enhances its aromatic character, which may influence its solubility and reactivity. Typically, compounds of this nature exhibit interesting biological activities, making them of interest in medicinal chemistry and drug development. The molecular structure suggests potential applications in agrochemicals or pharmaceuticals, particularly due to the triazole's known antifungal properties. Additionally, the compound's stability and reactivity can be influenced by the substituents on the triazole ring and the ester functional groups. Overall, this compound represents a unique combination of functional groups that may lead to diverse applications in various fields of chemistry.

Formula: C₁₄H₁₅N₃O₅

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

InChI key: InChIKey=HRKZOCVXWPNZBZ-UHFFFAOYSA-N

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

Synonyms:

• 1H-1,2,3-Triazole-5-acetic acid, 4-(methoxycarbonyl)-1-(4-methoxyphenyl)-, methyl ester
• Methyl 4-(methoxycarbonyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-5-acetate