CAS 898755-90-3

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

Description:

Benzoic acid, 3-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]-, ethyl ester, identified by CAS number 898755-90-3, 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 properties typical of esters, such as volatility and potential for hydrolysis under certain conditions. Additionally, the presence of functional groups may impart specific chemical reactivity, making it of interest in various applications, including pharmaceuticals and materials science. Its synthesis and characterization would typically involve standard organic chemistry techniques, and its behavior in biological systems could be explored through pharmacological studies. Overall, this compound represents a fascinating example of modern organic synthesis and its potential utility in diverse fields.

Formula: C₂₄H₂₇NO₅

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

InChI key: InChIKey=PHMPDDNUHSGARH-UHFFFAOYSA-N

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

Synonyms:

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