CAS 898775-33-2

Ethyl ε-oxo-2-(1-pyrrolidinylmethyl)benzenehexanoate

Description:

Ethyl ε-oxo-2-(1-pyrrolidinylmethyl)benzenehexanoate, identified by its CAS number 898775-33-2, is a synthetic organic compound characterized by its complex structure, which includes an ethyl ester functional group, a ketone, and a pyrrolidine moiety. This compound typically exhibits moderate to high lipophilicity due to the presence of the aromatic benzene ring and the aliphatic hexanoate chain, which can influence its solubility in organic solvents. The pyrrolidine ring contributes to its potential biological activity, making it of interest in medicinal chemistry. Ethyl ε-oxo-2-(1-pyrrolidinylmethyl)benzenehexanoate may participate in various chemical reactions, including nucleophilic substitutions and condensation reactions, due to the reactive carbonyl and ester functionalities. Its stability and reactivity can be influenced by environmental factors such as pH and temperature. While specific applications may vary, compounds of this nature are often explored for their potential use in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis.

Formula: C₁₉H₂₇NO₃

InChI: InChI=1S/C19H27NO3/c1-2-23-19(22)12-6-5-11-18(21)17-10-4-3-9-16(17)15-20-13-7-8-14-20/h3-4,9-10H,2,5-8,11-15H2,1H3

InChI key: InChIKey=DRTCWRPRZXAXCK-UHFFFAOYSA-N

SMILES: C(C1=C(C(CCCCC(OCC)=O)=O)C=CC=C1)N2CCCC2

Synonyms:

• Benzenehexanoic acid, ε-oxo-2-(1-pyrrolidinylmethyl)-, ethyl ester
• Ethyl ε-oxo-2-(1-pyrrolidinylmethyl)benzenehexanoate