CAS 860651-06-5

Ethyl 4-(4-fluorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazole-1-acetate

Description:

Ethyl 4-(4-fluorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazole-1-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 an ethyl acetate moiety, contributing to its ester functionality, and a fluorophenyl group that enhances its lipophilicity and potential biological activity. The presence of the 4-fluorophenyl substituent may influence its electronic properties and reactivity, making it of interest in medicinal chemistry. The compound is likely to exhibit moderate to high solubility in organic solvents, while its stability can be affected by environmental factors such as pH and temperature. Its unique structure suggests potential applications in pharmaceuticals, particularly in the development of antifungal or antibacterial agents, as triazole derivatives are known for their biological activity. Safety and handling precautions should be observed, as with any chemical substance, due to potential toxicity or reactivity.

Formula: C₁₃H₁₄FN₃O₃

InChI: InChI=1S/C13H14FN3O3/c1-3-20-12(18)8-16-13(19)17(9(2)15-16)11-6-4-10(14)5-7-11/h4-7H,3,8H2,1-2H3

InChI key: InChIKey=UJOQOYLNCVSAHO-UHFFFAOYSA-N

SMILES: O=C1N(C(C)=NN1CC(OCC)=O)C2=CC=C(F)C=C2

Synonyms:

• 1H-1,2,4-Triazole-1-acetic acid, 4-(4-fluorophenyl)-4,5-dihydro-3-methyl-5-oxo-, ethyl ester
• Ethyl 4-(4-fluorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazole-1-acetate