CAS 1803589-00-5

1H-1,2,4-Triazole-5-carboxylic acid, 3-(4-chlorophenyl)-1-methyl-, ethyl ester

Description:

1H-1,2,4-Triazole-5-carboxylic acid, 3-(4-chlorophenyl)-1-methyl-, ethyl ester, identified by CAS number 1803589-00-5, is a chemical compound that belongs to the triazole family, characterized by its five-membered ring structure containing three nitrogen atoms. This compound features a carboxylic acid functional group, which contributes to its acidity and potential reactivity. The presence of the ethyl ester group enhances its lipophilicity, making it more soluble in organic solvents. The 4-chlorophenyl substituent introduces additional hydrophobic characteristics and may influence the compound's biological activity. Typically, triazole derivatives are known for their applications in pharmaceuticals, particularly as antifungal agents and in agricultural chemistry. The specific structural features of this compound suggest potential utility in medicinal chemistry, possibly exhibiting unique interactions with biological targets due to the combination of the triazole ring and the aromatic chlorophenyl group. Overall, this compound's characteristics make it a subject of interest for further research in various chemical and biological applications.

Formula: C₁₂H₁₂ClN₃O₂

InChI: InChI=1S/C12H12ClN3O2/c1-3-18-12(17)11-14-10(15-16(11)2)8-4-6-9(13)7-5-8/h4-7H,3H2,1-2H3

InChI key: InChIKey=YFJFGIPEOFETKT-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=NC(=NN1C)C2=CC=C(Cl)C=C2

Synonyms:

• Ethyl 3-(4-chlorophenyl)-1-methyl-1H-1,2,4-triazole-5-carboxylate
• 1H-1,2,4-Triazole-5-carboxylic acid, 3-(4-chlorophenyl)-1-methyl-, ethyl ester

Ethyl 3-(4-chlorophenyl)-1-methyl-1H-1,2,4-triazole-5-carboxylate

CAS: 1803589-00-5

Versatile small molecule scaffold

Formula: C₁₂H₁₂ClN₃O₂

Purity: Min. 95%

Molecular weight: 265.69 g/mol

Ref: 3D-DXC58900