CAS 898763-67-2

Ethyl 4-[(4-methyl-1-piperazinyl)methyl]-η-oxobenzeneoctanoate

Description:

Ethyl 4-[(4-methyl-1-piperazinyl)methyl]-η-oxobenzeneoctanoate, identified by its CAS number 898763-67-2, is a chemical compound that features a complex structure combining an ethyl ester with a piperazine moiety. This compound typically exhibits characteristics common to esters, such as being relatively non-polar, which can influence its solubility in organic solvents. The presence of the piperazine ring suggests potential biological activity, as piperazine derivatives are often associated with pharmacological properties. The compound may also display moderate to high lipophilicity due to the octanoate chain, which can affect its interaction with biological membranes. Additionally, the presence of the η-oxo group indicates potential reactivity, possibly allowing for further chemical modifications. Overall, this compound's unique structure may contribute to its utility in medicinal chemistry or as a building block in the synthesis of more complex molecules. However, specific properties such as melting point, boiling point, and reactivity would require empirical data for precise characterization.

Formula: C₂₂H₃₄N₂O₃

InChI: InChI=1S/C22H34N2O3/c1-3-27-22(26)9-7-5-4-6-8-21(25)20-12-10-19(11-13-20)18-24-16-14-23(2)15-17-24/h10-13H,3-9,14-18H2,1-2H3

InChI key: InChIKey=AEAJQQIOFVZKEM-UHFFFAOYSA-N

SMILES: C(CCCCCCC(OCC)=O)(=O)C1=CC=C(CN2CCN(C)CC2)C=C1

Synonyms:

• Benzeneoctanoic acid, 4-[(4-methyl-1-piperazinyl)methyl]-η-oxo-, ethyl ester
• Ethyl 4-[(4-methyl-1-piperazinyl)methyl]-η-oxobenzeneoctanoate

ethyl 8-[4-(4-methylpiperazinomethyl)phenyl]-8-oxooctanoate

CAS: 898763-67-2

Formula: C₂₂H₃₄N₂O₃

Purity: 97.0%

Molecular weight: 374.525

Ref: 10-F204597