CAS 396123-24-3

3-(Ethoxycarbonyl)-2,4-dimethyl-5-phenyl-1H-pyrrole-1-acetic acid

Description:

3-(Ethoxycarbonyl)-2,4-dimethyl-5-phenyl-1H-pyrrole-1-acetic acid is a chemical compound characterized by its pyrrole ring structure, which is a five-membered aromatic heterocycle containing nitrogen. This compound features an ethoxycarbonyl group, contributing to its ester functionality, and multiple methyl groups that enhance its hydrophobic characteristics. The presence of a phenyl group adds to its aromatic nature, potentially influencing its reactivity and interactions with other molecules. The carboxylic acid functional group at the acetic acid position provides acidic properties, allowing for potential hydrogen bonding and solubility in polar solvents. This compound may exhibit biological activity, making it of interest in medicinal chemistry and drug development. Its unique structural features suggest potential applications in various fields, including pharmaceuticals and organic synthesis. As with many organic compounds, its stability, reactivity, and solubility will depend on environmental conditions such as pH and temperature. Proper handling and storage are essential to maintain its integrity and effectiveness in applications.

Formula: C₁₇H₁₉NO₄

InChI: InChI=1S/C17H19NO4/c1-4-22-17(21)15-11(2)16(13-8-6-5-7-9-13)18(12(15)3)10-14(19)20/h5-9H,4,10H2,1-3H3,(H,19,20)

InChI key: InChIKey=VUVFGHPEUSMUMX-UHFFFAOYSA-N

SMILES: C(C(O)=O)N1C(=C(C)C(C(OCC)=O)=C1C)C2=CC=CC=C2

Synonyms:

• 1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2,4-dimethyl-5-phenyl-
• 2-(3-Ethoxycarbonyl-2,4-dimethyl-5-phenylpyrrol-1-yl)acetic acid
• 3-(Ethoxycarbonyl)-2,4-dimethyl-5-phenyl-1H-pyrrole-1-acetic acid