CAS 898775-79-6

Ethyl γ-oxo-4-(1-piperidinylmethyl)benzenebutanoate

Description:

Ethyl γ-oxo-4-(1-piperidinylmethyl)benzenebutanoate, identified by its CAS number 898775-79-6, 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 and potential applications in medicinal chemistry. The presence of the piperidine ring suggests that it may exhibit biological activity, possibly interacting with neurotransmitter systems or serving as a scaffold for drug development. The compound's structure includes a benzene ring substituted with a piperidinylmethyl group and a γ-oxo group, indicating potential reactivity and the ability to participate in various chemical reactions. Its molecular properties, such as boiling point, melting point, and solubility, would depend on the specific interactions of its functional groups. Overall, this compound may be of interest in research fields related to pharmaceuticals and organic synthesis, although specific biological activities and applications would require further investigation.

Formula: C₁₈H₂₅NO₃

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

InChI key: InChIKey=WHRNLDCWDWJFGX-UHFFFAOYSA-N

SMILES: C(CCC(OCC)=O)(=O)C1=CC=C(CN2CCCCC2)C=C1

Synonyms:

• Benzenebutanoic acid, γ-oxo-4-(1-piperidinylmethyl)-, ethyl ester
• Ethyl γ-oxo-4-(1-piperidinylmethyl)benzenebutanoate