CAS 898793-74-3

Ethyl γ-oxo-3-(1-piperidinylmethyl)benzenebutanoate

Description:

Ethyl γ-oxo-3-(1-piperidinylmethyl)benzenebutanoate, identified by its CAS number 898793-74-3, is a chemical compound that features a complex structure incorporating both an ester and a ketone functional group. This compound is characterized by its ethyl ester moiety, which contributes to its solubility in organic solvents. The presence of the piperidine ring suggests potential biological activity, as piperidine derivatives are often associated with various pharmacological properties. The compound's structure includes a benzene ring substituted with a ketone group and a piperidinylmethyl group, indicating potential interactions with biological targets. Its molecular configuration may influence its reactivity and stability, making it of interest in medicinal chemistry and drug development. Additionally, the compound's synthesis and characterization would typically involve standard organic chemistry techniques, including NMR and mass spectrometry for structural elucidation. Overall, Ethyl γ-oxo-3-(1-piperidinylmethyl)benzenebutanoate represents a unique scaffold that could be explored for various applications in pharmaceuticals or agrochemicals.

Formula: C₁₈H₂₅NO₃

InChI: InChI=1S/C18H25NO3/c1-2-22-18(21)10-9-17(20)16-8-6-7-15(13-16)14-19-11-4-3-5-12-19/h6-8,13H,2-5,9-12,14H2,1H3

InChI key: InChIKey=ZOMZOJVHFGXLCQ-UHFFFAOYSA-N

SMILES: C(C1=CC(C(CCC(OCC)=O)=O)=CC=C1)N2CCCCC2

Synonyms:

• Benzenebutanoic acid, γ-oxo-3-(1-piperidinylmethyl)-, ethyl ester
• Ethyl γ-oxo-3-(1-piperidinylmethyl)benzenebutanoate