CAS 898755-92-5

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

Description:

Benzoic acid, 4-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]-, ethyl ester, identified by CAS number 898755-92-5, is a complex organic compound characterized by its ester functional group and a spirocyclic structure. This compound features a benzoic acid moiety, which contributes to its acidity and potential for forming hydrogen bonds. The presence of the ethyl ester group enhances its lipophilicity, making it more soluble in organic solvents. The spirocyclic structure, which includes a nitrogen atom, adds to its unique chemical properties, potentially influencing its reactivity and biological activity. This compound may exhibit interesting pharmacological properties due to its structural complexity, making it a candidate for further research in medicinal chemistry. Additionally, its synthesis and characterization would involve standard organic chemistry techniques, including esterification and possibly cyclization reactions. Overall, this compound's unique structure and functional groups suggest potential applications in pharmaceuticals or as a chemical intermediate in organic synthesis.

Formula: C₂₄H₂₇NO₅

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

InChI key: InChIKey=HAAWGGVILKIGBQ-UHFFFAOYSA-N

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

Synonyms:

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