CAS 937642-84-7

4-[3-(Dimethylamino)-3-oxopropyl]benzoic acid

Description:

4-[3-(Dimethylamino)-3-oxopropyl]benzoic acid, identified by its CAS number 937642-84-7, is an organic compound characterized by its benzoic acid structure modified with a propyl chain that includes a dimethylamino group. This compound typically exhibits properties such as being a solid at room temperature, with potential solubility in polar solvents due to the presence of the carboxylic acid functional group. The dimethylamino moiety can impart basic characteristics, allowing for interactions with acids and other electrophiles. Its structure suggests potential applications in pharmaceuticals, particularly as a building block in drug synthesis or as a ligand in coordination chemistry. The presence of both a carbonyl and a carboxylic acid group indicates that it may participate in various chemical reactions, including esterification and amidation. Additionally, the compound's biological activity may be influenced by its ability to interact with biological targets, making it of interest in medicinal chemistry. Overall, this compound's unique structural features contribute to its potential utility in various chemical and biological applications.

Formula: C₁₂H₁₅NO₃

InChI: InChI=1S/C12H15NO3/c1-13(2)11(14)8-5-9-3-6-10(7-4-9)12(15)16/h3-4,6-7H,5,8H2,1-2H3,(H,15,16)

InChI key: InChIKey=DYOHNPJQFOFSFK-UHFFFAOYSA-N

SMILES: C(CC(N(C)C)=O)C1=CC=C(C(O)=O)C=C1

Synonyms:

• 4-[3-(Dimethylamino)-3-oxopropyl]benzoic acid
• Benzoic acid, 4-[3-(dimethylamino)-3-oxopropyl]-