CAS 898757-70-5

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

Description:

Benzoic acid, 4-[4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]-, ethyl ester, identified by CAS number 898757-70-5, 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 and may influence its biological activity. Typically, compounds of this nature are investigated for their potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. The presence of multiple functional groups suggests that it may exhibit interesting reactivity and interactions with other chemical species. Overall, this compound's structural complexity and functional diversity make it a subject of interest in various fields of chemical research.

Formula: C₂₄H₂₇NO₅

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

InChI key: InChIKey=NBWBPKZCTPCXPR-UHFFFAOYSA-N

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

Synonyms:

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