CAS 887360-08-9

4-Butoxy-1H-indole-2-carboxylic acid

Description:

4-Butoxy-1H-indole-2-carboxylic acid is an organic compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This substance features a butoxy group, which is an alkoxy functional group derived from butanol, attached to the 4-position of the indole ring, and a carboxylic acid group at the 2-position. The presence of these functional groups contributes to its solubility in organic solvents and its potential reactivity in various chemical reactions. The compound may exhibit biological activity, making it of interest in pharmaceutical research. Its molecular structure allows for interactions with biological targets, potentially influencing various biochemical pathways. Additionally, the compound's properties, such as melting point, boiling point, and solubility, can vary based on environmental conditions and the presence of other substances. As with many organic compounds, safety data and handling precautions should be considered when working with 4-butoxy-1H-indole-2-carboxylic acid in laboratory settings.

Formula: C₁₃H₁₅NO₃

InChI: InChI=1S/C13H15NO3/c1-2-3-7-17-12-6-4-5-10-9(12)8-11(14-10)13(15)16/h4-6,8,14H,2-3,7H2,1H3,(H,15,16)

InChI key: InChIKey=BCQCVFOFRLIQMC-UHFFFAOYSA-N

SMILES: O(CCCC)C1=C2C(NC(C(O)=O)=C2)=CC=C1

Synonyms:

• 4-Butoxy-1H-indole-2-carboxylic acid
• 1H-Indole-2-carboxylic acid, 4-butoxy-