CAS 898770-87-1

Ethyl 4-(4-morpholinylmethyl)-ζ-oxobenzeneheptanoate

Description:

Ethyl 4-(4-morpholinylmethyl)-ζ-oxobenzeneheptanoate, identified by its CAS number 898770-87-1, 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 pharmaceuticals or agrochemicals. The presence of a morpholine ring indicates that the compound may exhibit interesting biological activity, as morpholines are often found in various bioactive molecules. The "ζ-oxobenzene" moiety suggests the presence of a ketone functional group adjacent to a benzene ring, which can influence the compound's reactivity and stability. Additionally, the heptanoate chain provides a hydrophobic character, potentially affecting the compound's interaction with biological membranes. Overall, this compound's unique combination of functional groups may lead to diverse applications, particularly in medicinal chemistry, where it could serve as a lead compound for further development. However, specific properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.

Formula: C₂₀H₂₉NO₄

InChI: InChI=1S/C20H29NO4/c1-2-25-20(23)7-5-3-4-6-19(22)18-10-8-17(9-11-18)16-21-12-14-24-15-13-21/h8-11H,2-7,12-16H2,1H3

InChI key: InChIKey=HVOPWQLICYDJSQ-UHFFFAOYSA-N

SMILES: C(CCCCCC(OCC)=O)(=O)C1=CC=C(CN2CCOCC2)C=C1

Synonyms:

• Ethyl 4-(4-morpholinylmethyl)-ζ-oxobenzeneheptanoate
• Benzeneheptanoic acid, 4-(4-morpholinylmethyl)-ζ-oxo-, ethyl ester