CAS 868776-10-7

(2E)-3-(1-Methyl-1H-imidazol-2-yl)-2-propenoic acid

Description:

(2E)-3-(1-Methyl-1H-imidazol-2-yl)-2-propenoic acid, also known by its CAS number 868776-10-7, is an organic compound characterized by its propenoic acid structure, which features a double bond between the second and third carbon atoms. The presence of the 1-methyl-1H-imidazol-2-yl group introduces heteroatoms into the molecule, contributing to its unique chemical properties. This compound is likely to exhibit both acidic and basic characteristics due to the carboxylic acid functional group and the imidazole ring, which can participate in hydrogen bonding and coordination with metal ions. Its molecular structure suggests potential applications in pharmaceuticals, agrochemicals, or as a biochemical probe, given the biological relevance of imidazole derivatives. The compound's reactivity may include polymerization due to the propenoic acid moiety, making it useful in various synthetic applications. Additionally, its solubility and stability in different solvents can vary, influencing its practical uses in laboratory and industrial settings.

Formula: C₇H₈N₂O₂

InChI: InChI=1S/C7H8N2O2/c1-9-5-4-8-6(9)2-3-7(10)11/h2-5H,1H3,(H,10,11)/b3-2+

InChI key: InChIKey=RCRPCQMNXDKVHN-NSCUHMNNSA-N

SMILES: C(=C/C(O)=O)\C=1N(C)C=CN1

Synonyms:

• (E)-3-(1-Methylimidazol-2-yl)acrylic acid
• 2-Propenoic acid, 3-(1-methyl-1H-imidazol-2-yl)-, (2E)-
• (2E)-3-(1-Methyl-1H-imidazol-2-yl)-2-propenoic acid