CAS 898789-53-2

Ethyl 3-[(4-methyl-1-piperazinyl)methyl]-ζ-oxobenzeneheptanoate

Description:

Ethyl 3-[(4-methyl-1-piperazinyl)methyl]-ζ-oxobenzeneheptanoate, identified by its CAS number 898789-53-2, is a synthetic organic compound characterized by its complex molecular structure. It features an ethyl ester functional group, which contributes to its solubility in organic solvents and potential applications in medicinal chemistry. The presence of a piperazine moiety suggests potential pharmacological activity, as piperazine derivatives are often associated with various biological effects, including anxiolytic and antidepressant properties. The compound's structure includes a benzene ring with a ketone group, indicating it may participate in electrophilic aromatic substitution reactions. Additionally, the heptanoate chain provides hydrophobic characteristics, which can influence its interaction with biological membranes. Overall, this compound may be of interest in drug development and research due to its unique structural features and potential biological activities. However, specific biological activity, toxicity, and pharmacokinetic properties would require further investigation through empirical studies.

Formula: C₂₁H₃₂N₂O₃

InChI: InChI=1S/C21H32N2O3/c1-3-26-21(25)11-6-4-5-10-20(24)19-9-7-8-18(16-19)17-23-14-12-22(2)13-15-23/h7-9,16H,3-6,10-15,17H2,1-2H3

InChI key: InChIKey=JQSWOBHBMALUDJ-UHFFFAOYSA-N

SMILES: C(C1=CC(C(CCCCCC(OCC)=O)=O)=CC=C1)N2CCN(C)CC2

Synonyms:

• Benzeneheptanoic acid, 3-[(4-methyl-1-piperazinyl)methyl]-ζ-oxo-, ethyl ester
• Ethyl 3-[(4-methyl-1-piperazinyl)methyl]-ζ-oxobenzeneheptanoate

ethyl 7-[3-(4-methylpiperazinomethyl)phenyl]-7-oxoheptanoate

CAS: 898789-53-2

Formula: C₂₁H₃₂N₂O₃

Purity: 97.0%

Molecular weight: 360.498

Ref: 10-F205052