CAS 898775-36-5

Ethyl ζ-oxo-2-(1-pyrrolidinylmethyl)benzeneheptanoate

Description:

Ethyl ζ-oxo-2-(1-pyrrolidinylmethyl)benzeneheptanoate, identified by its CAS number 898775-36-5, is a chemical compound that belongs to the class of esters. It features a complex structure that includes a benzene ring, a heptanoate chain, and a pyrrolidine moiety, which contributes to its potential biological activity. The presence of the ethyl ester group suggests that it may exhibit moderate lipophilicity, influencing its solubility in organic solvents and its permeability through biological membranes. The compound's functional groups may also allow for various chemical reactions, making it a candidate for further synthetic modifications. While specific data on its physical properties such as boiling point, melting point, and solubility may not be readily available, compounds of this nature often exhibit interesting pharmacological properties, potentially serving as intermediates in drug development or as research chemicals in medicinal chemistry. As with any chemical substance, safety data and handling precautions should be reviewed before use.

Formula: C₂₀H₂₉NO₃

InChI: InChI=1S/C20H29NO3/c1-2-24-20(23)13-5-3-4-12-19(22)18-11-7-6-10-17(18)16-21-14-8-9-15-21/h6-7,10-11H,2-5,8-9,12-16H2,1H3

InChI key: InChIKey=URDNYZHDRSCTDW-UHFFFAOYSA-N

SMILES: C(CCCCCC(OCC)=O)(=O)C1=C(CN2CCCC2)C=CC=C1

Synonyms:

• Benzeneheptanoic acid, ζ-oxo-2-(1-pyrrolidinylmethyl)-, ethyl ester
• Ethyl ζ-oxo-2-(1-pyrrolidinylmethyl)benzeneheptanoate