CAS 1295583-28-6

Methyl (2E)-3-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propenoate

Description:

Methyl (2E)-3-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propenoate, identified by its CAS number 1295583-28-6, is an organic compound characterized by its propenoate structure, which features a methyl ester functional group. This compound contains a triazole ring, a five-membered heterocyclic structure containing three nitrogen atoms, which contributes to its potential biological activity. The presence of the phenyl group enhances its aromatic characteristics, influencing its reactivity and solubility. Typically, compounds like this may exhibit properties such as moderate to high stability under standard conditions, and they may be soluble in organic solvents. The triazole moiety is often associated with various pharmacological activities, making this compound of interest in medicinal chemistry. Its structural features suggest potential applications in agrochemicals or pharmaceuticals, particularly in the development of antifungal or antimicrobial agents. However, specific properties such as melting point, boiling point, and spectral data would require experimental determination or literature reference for precise characterization.

Formula: C₁₂H₁₁N₃O₂

InChI: InChI=1S/C12H11N3O2/c1-17-12(16)7-4-10-2-5-11(6-3-10)15-9-13-8-14-15/h2-9H,1H3/b7-4+

InChI key: InChIKey=DBMMXTVBUNQBRV-QPJJXVBHSA-N

SMILES: C(=C/C(OC)=O)\C1=CC=C(C=C1)N2C=NC=N2

Synonyms:

• 2-Propenoic acid, 3-[4-(1H-1,2,4-triazol-1-yl)phenyl]-, methyl ester, (2E)-
• Methyl (2E)-3-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propenoate