CAS 88072-14-4

Benzoic acid, 5-methyl-2-(2-oxo-1-azetidinyl)-, 1,1-dimethylethyl ester

Description:

Benzoic acid, 5-methyl-2-(2-oxo-1-azetidinyl)-, 1,1-dimethylethyl ester, identified by CAS number 88072-14-4, is an organic compound characterized by its ester functional group and a complex structure that includes a benzoic acid moiety and an azetidine ring. This compound typically exhibits moderate solubility in organic solvents and may have limited solubility in water due to its hydrophobic characteristics. The presence of the azetidine ring suggests potential biological activity, as compounds containing nitrogen heterocycles often exhibit pharmacological properties. The ester group can influence the compound's reactivity and stability, making it relevant in various chemical applications, including as an intermediate in organic synthesis or in the development of pharmaceuticals. Additionally, the methyl and tert-butyl substituents can affect the compound's steric hindrance and electronic properties, which may play a role in its interactions with biological targets or in chemical reactions. Overall, this compound's unique structure and functional groups contribute to its potential utility in both research and industrial applications.

Formula: C₁₅H₁₉NO₃

InChI: InChI=1S/C15H19NO3/c1-10-5-6-12(16-8-7-13(16)17)11(9-10)14(18)19-15(2,3)4/h5-6,9H,7-8H2,1-4H3

InChI key: XBQWKIIDBAGUBG-UHFFFAOYSA-N

SMILES: CC1=CC(=C(C=C1)N2CCC2=O)C(=O)OC(C)(C)C