CAS 870540-39-9

4-(3-acetyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid

Description:

4-(3-acetyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid, with the CAS number 870540-39-9, is an organic compound characterized by its complex structure that includes a benzoic acid moiety and a pyrrole derivative. This compound features a pyrrole ring substituted with an acetyl group and two methyl groups, contributing to its unique chemical properties. The presence of the carboxylic acid functional group in the benzoic acid part indicates that it can participate in acid-base reactions, making it a potential candidate for various chemical syntheses and applications. The methyl groups enhance its lipophilicity, which may influence its solubility and reactivity in organic solvents. Additionally, the compound may exhibit biological activity due to its structural features, making it of interest in medicinal chemistry. Its synthesis and characterization would typically involve standard organic chemistry techniques, and it may be utilized in research related to pharmaceuticals or materials science. As with many organic compounds, safety data and handling precautions should be considered when working with this substance.

Formula: C₁₅H₁₅NO₃

InChI: InChI=1/C15H15NO3/c1-9-8-14(11(3)17)10(2)16(9)13-6-4-12(5-7-13)15(18)19/h4-8H,1-3H3,(H,18,19)

SMILES: Cc1cc(c(C)n1c1ccc(cc1)C(=O)O)C(=O)C

Synonyms:

• benzoic acid, 4-(3-acetyl-2,5-dimethyl-1H-pyrrol-1-yl)-