CAS 1393561-26-6

Ethyl 1,4-dimethyl-1H-1,2,3-triazole-5-carboxylate

Description:

Ethyl 1,4-dimethyl-1H-1,2,3-triazole-5-carboxylate is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This compound features an ethyl ester functional group, contributing to its solubility in organic solvents. The presence of two methyl groups at the 1 and 4 positions of the triazole ring enhances its lipophilicity and may influence its biological activity. The carboxylate group at the 5 position is significant for potential reactivity and interactions in various chemical environments. This compound is of interest in medicinal chemistry and agricultural applications, particularly for its potential as a building block in the synthesis of bioactive molecules. Its unique structure may impart specific properties, such as antimicrobial or antifungal activity, making it a candidate for further research in drug development. As with many triazole derivatives, it may also exhibit interesting coordination chemistry with metal ions, which can be explored for various applications in materials science and catalysis.

Formula: C₇H₁₁N₃O₂

InChI: InChI=1S/C7H11N3O2/c1-4-12-7(11)6-5(2)8-9-10(6)3/h4H2,1-3H3

InChI key: InChIKey=ZNTZZNGXCVWWGW-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=C(C)N=NN1C

Synonyms:

• 1H-1,2,3-Triazole-5-carboxylic acid, 1,4-dimethyl-, ethyl ester
• Ethyl 1,4-dimethyl-1H-1,2,3-triazole-5-carboxylate

Ethyl 1,4-dimethyl-1H-1,2,3-triazole-5-carboxylate

CAS: 1393561-26-6

Versatile small molecule scaffold

Formula: C₇H₁₁N₃O₂

Purity: Min. 95%

Molecular weight: 169.18 g/mol

Ref: 3D-TFC56126