CAS 74733-38-3

Benzoic acid, 4-(3-aminopropyl)-, methyl ester

Description:

Benzoic acid, 4-(3-aminopropyl)-, methyl ester, with the CAS number 74733-38-3, is an organic compound characterized by its structure, which includes a benzoic acid moiety substituted with a 3-aminopropyl group and a methyl ester functional group. This compound typically appears as a white to off-white solid or viscous liquid, depending on its purity and specific conditions. It is soluble in organic solvents such as ethanol and methanol but has limited solubility in water due to its hydrophobic aromatic ring. The presence of the amino group suggests potential for hydrogen bonding and reactivity, making it a candidate for various chemical reactions, including amide formation and coupling reactions. Additionally, the methyl ester group can undergo hydrolysis to yield the corresponding acid, which may have implications for its biological activity and applications in pharmaceuticals or agrochemicals. Overall, this compound's unique structure and functional groups contribute to its potential utility in synthetic organic chemistry and medicinal applications.

Formula: C₁₁H₁₅NO₂

InChI: InChI=1S/C11H15NO2/c1-14-11(13)10-6-4-9(5-7-10)3-2-8-12/h4-7H,2-3,8,12H2,1H3

InChI key: InChIKey=POJGCTWJHFRKNS-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=CC=C(CCCN)C=C1

Synonyms:

• Methyl 4-(3-aminopropyl)benzoate
• Benzoic acid, 4-(3-aminopropyl)-, methyl ester