CAS 870837-50-6

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

Description:

Methyl (2E)-3-[4-(1H-imidazol-1-yl)phenyl]-2-propenoate, identified by its CAS number 870837-50-6, is an organic compound characterized by its ester functional group and a propenoate backbone. This compound features a methyl ester derived from a substituted propenoic acid, specifically with a phenyl ring that is further substituted by an imidazole group, which contributes to its potential biological activity. The presence of the imidazole moiety suggests possible interactions with biological targets, making it of interest in medicinal chemistry. The compound is likely to exhibit moderate to high solubility in organic solvents due to its polar functional groups, while its structural features may influence its reactivity and stability under various conditions. Additionally, the geometric configuration indicated by the (2E) notation suggests a specific arrangement of substituents around the double bond, which can affect the compound's physical properties and reactivity. Overall, this compound's unique structure positions it as a candidate for further research in pharmaceutical applications.

Formula: C₁₃H₁₂N₂O₂

InChI: InChI=1S/C13H12N2O2/c1-17-13(16)7-4-11-2-5-12(6-3-11)15-9-8-14-10-15/h2-10H,1H3/b7-4+

InChI key: InChIKey=FZLFPOQKXZBPLI-QPJJXVBHSA-N

SMILES: C(=C/C(OC)=O)\C1=CC=C(C=C1)N2C=CN=C2

Synonyms:

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