CAS 898761-56-3

Benzoic acid, 2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]-, ethyl ester

Description:

Benzoic acid, 2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]-, ethyl ester, identified by CAS number 898761-56-3, is a complex organic compound characterized by its unique structural features. It contains a benzoic acid moiety linked to an ethyl ester group, which contributes to its solubility and reactivity. The presence of a spirocyclic structure, specifically the 1,4-dioxa-8-azaspiro[4.5]decane, adds to its molecular complexity and may influence its biological activity and interaction with other substances. This compound is likely to exhibit moderate polarity due to the combination of aromatic and aliphatic components, affecting its solubility in various solvents. Additionally, the presence of functional groups such as the ester and the aromatic rings suggests potential applications in pharmaceuticals or as intermediates in organic synthesis. Its specific properties, including melting point, boiling point, and reactivity, would require empirical measurement or detailed literature reference for precise characterization.

Formula: C₂₄H₂₇NO₅

InChI: InChI=1/C24H27NO5/c1-2-28-23(27)21-9-4-3-8-20(21)22(26)19-7-5-6-18(16-19)17-25-12-10-24(11-13-25)29-14-15-30-24/h3-9,16H,2,10-15,17H2,1H3

InChI key: InChIKey=VEZBUNDOAZDLJS-UHFFFAOYSA-N

SMILES: C(N1CCC2(CC1)OCCO2)C3=CC(C(=O)C4=C(C(OCC)=O)C=CC=C4)=CC=C3

Synonyms:

• Ethyl 2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]benzoate
• Benzoic acid, 2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]-, ethyl ester
• 2-CARBOETHOXY-3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE
• Ethyl 2-(3-((1,4-dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)benzoyl)benzoate