CAS 111468-95-2

4-(1-Oxobutyl)-1H-pyrrole-2-carboxylic acid

Description:

4-(1-Oxobutyl)-1H-pyrrole-2-carboxylic acid, with the CAS number 111468-95-2, is a chemical compound that features a pyrrole ring, which is a five-membered aromatic heterocycle containing nitrogen. This compound is characterized by the presence of a carboxylic acid functional group and a ketone moiety, contributing to its reactivity and potential applications in organic synthesis. The structure indicates that it may participate in various chemical reactions, such as nucleophilic substitutions or condensation reactions, due to the electrophilic nature of the carbonyl group and the acidic hydrogen of the carboxylic acid. Its unique structure may also impart specific biological activities, making it of interest in medicinal chemistry. Additionally, the compound's solubility, stability, and reactivity can be influenced by the presence of functional groups and the overall molecular geometry. As with many organic compounds, safety data and handling precautions should be considered when working with this substance in a laboratory setting.

Formula: C₉H₁₁NO₃

InChI: InChI=1S/C9H11NO3/c1-2-3-8(11)6-4-7(9(12)13)10-5-6/h4-5,10H,2-3H2,1H3,(H,12,13)

InChI key: InChIKey=UONGLVQLBJRCSR-UHFFFAOYSA-N

SMILES: C(CCC)(=O)C=1C=C(C(O)=O)NC1

Synonyms:

• 1H-Pyrrole-2-carboxylic acid, 4-(1-oxobutyl)-
• 4-(1-Oxobutyl)-1H-pyrrole-2-carboxylic acid