CAS 867329-95-1

5-Acetyl-3-(methoxycarbonyl)-4-methyl-1H-pyrrole-2-acetic acid

Description:

5-Acetyl-3-(methoxycarbonyl)-4-methyl-1H-pyrrole-2-acetic acid is a pyrrole derivative characterized by its unique structural features, which include an acetyl group, a methoxycarbonyl group, and a methyl substituent on the pyrrole ring. This compound typically exhibits properties associated with both acidic and aromatic functionalities, making it a versatile intermediate in organic synthesis. The presence of the carboxylic acid group suggests it can participate in various chemical reactions, such as esterification and amidation. Additionally, the methoxycarbonyl group can enhance the compound's reactivity and solubility in organic solvents. The molecular structure contributes to its potential biological activity, which may include antimicrobial or anti-inflammatory properties, although specific biological data would require further investigation. Overall, this compound is of interest in the fields of medicinal chemistry and organic synthesis due to its functional groups and the potential for further derivatization.

Formula: C₁₁H₁₃NO₅

InChI: InChI=1S/C11H13NO5/c1-5-9(11(16)17-3)7(4-8(14)15)12-10(5)6(2)13/h12H,4H2,1-3H3,(H,14,15)

InChI key: InChIKey=RTSUJTLZRWKLSV-UHFFFAOYSA-N

SMILES: C(C(O)=O)C1=C(C(OC)=O)C(C)=C(C(C)=O)N1

Synonyms:

• 5-Acetyl-3-(methoxycarbonyl)-4-methyl-1H-pyrrole-2-acetic acid
• 1H-Pyrrole-2-acetic acid, 5-acetyl-3-(methoxycarbonyl)-4-methyl-