CAS 898762-66-8

Benzeneheptanoic acid, 3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-ζ-oxo-, ethyl ester

Description:

Benzeneheptanoic acid, 3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-ζ-oxo-, ethyl ester, identified by CAS number 898762-66-8, is a complex organic compound characterized by its unique structural features, including a benzene ring and a spirocyclic moiety. This compound likely exhibits properties typical of both esters and carboxylic acids, such as moderate solubility in organic solvents and potential reactivity due to the presence of functional groups. The spirocyclic structure may impart interesting steric and electronic properties, influencing its reactivity and interactions with biological systems. Additionally, the presence of the ethyl ester group suggests that it may undergo hydrolysis to release the corresponding acid, which could have implications for its biological activity or applications in medicinal chemistry. Overall, the compound's complexity suggests potential utility in various fields, including pharmaceuticals, where such structures can be explored for their therapeutic effects. However, specific data on its physical and chemical properties, such as melting point, boiling point, and spectral characteristics, would require further investigation or experimental determination.

Formula: C₂₃H₃₃NO₅

InChI: InChI=1S/C23H33NO5/c1-2-27-22(26)10-5-3-4-9-21(25)20-8-6-7-19(17-20)18-24-13-11-23(12-14-24)28-15-16-29-23/h6-8,17H,2-5,9-16,18H2,1H3

InChI key: InChIKey=SZWISXONBLNQSA-UHFFFAOYSA-N

SMILES: C(N1CCC2(CC1)OCCO2)C3=CC(C(CCCCCC(OCC)=O)=O)=CC=C3

Synonyms:

• Benzeneheptanoic acid, 3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-ζ-oxo-, ethyl ester
• Ethyl 7-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]-7-oxoheptanoate