CAS 898771-45-4

Ethyl 2-[3-(1-azetidinylmethyl)benzoyl]benzoate

Description:

Ethyl 2-[3-(1-azetidinylmethyl)benzoyl]benzoate, identified by its CAS number 898771-45-4, is a synthetic organic compound characterized by its complex structure, which includes an ethyl ester group and a benzoyl moiety linked to a benzene ring. This compound features an azetidine ring, a four-membered nitrogen-containing heterocycle, which contributes to its unique chemical properties and potential biological activity. Ethyl 2-[3-(1-azetidinylmethyl)benzoyl]benzoate is typically a solid or liquid at room temperature, depending on its specific formulation and purity. It may exhibit moderate solubility in organic solvents, while its solubility in water is generally low due to the hydrophobic nature of the aromatic and aliphatic components. The compound may be of interest in medicinal chemistry for its potential pharmacological applications, particularly in the development of new therapeutic agents. As with many organic compounds, handling should be done with care, following appropriate safety protocols to mitigate any risks associated with its use.

Formula: C₂₀H₂₁NO₃

InChI: InChI=1S/C20H21NO3/c1-2-24-20(23)18-10-4-3-9-17(18)19(22)16-8-5-7-15(13-16)14-21-11-6-12-21/h3-5,7-10,13H,2,6,11-12,14H2,1H3

InChI key: InChIKey=NOMYNSBGVWAJMS-UHFFFAOYSA-N

SMILES: C(=O)(C1=C(C(OCC)=O)C=CC=C1)C2=CC(CN3CCC3)=CC=C2

Synonyms:

• Benzoic acid, 2-[3-(1-azetidinylmethyl)benzoyl]-, ethyl ester
• Ethyl 2-[3-(1-azetidinylmethyl)benzoyl]benzoate