CAS 898775-39-8

Ethyl η-oxo-2-(1-pyrrolidinylmethyl)benzeneoctanoate

Description:

Ethyl η-oxo-2-(1-pyrrolidinylmethyl)benzeneoctanoate, identified by its CAS number 898775-39-8, 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 properties associated with esters, such as being relatively non-polar and having moderate solubility in organic solvents. The presence of the pyrrolidine ring suggests potential biological activity, as pyrrolidine derivatives are often explored for their pharmacological properties. The compound may also display characteristics such as a specific melting point and boiling point, which are influenced by its molecular weight and structure. Additionally, it may participate in various chemical reactions typical of esters and ketones, including hydrolysis and transesterification. Due to its unique structure, this compound could be of interest in medicinal chemistry and material science, although specific applications would depend on further research into its biological activity and stability.

Formula: C₂₁H₃₁NO₃

InChI: InChI=1S/C21H31NO3/c1-2-25-21(24)14-6-4-3-5-13-20(23)19-12-8-7-11-18(19)17-22-15-9-10-16-22/h7-8,11-12H,2-6,9-10,13-17H2,1H3

InChI key: InChIKey=CXXHADIHCLKMME-UHFFFAOYSA-N

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

Synonyms:

• Ethyl η-oxo-2-(1-pyrrolidinylmethyl)benzeneoctanoate
• Benzeneoctanoic acid, η-oxo-2-(1-pyrrolidinylmethyl)-, ethyl ester