CAS 898754-59-1

Ethyl 4-[2-(1-azetidinylmethyl)benzoyl]benzoate

Description:

Ethyl 4-[2-(1-azetidinylmethyl)benzoyl]benzoate, identified by its CAS number 898754-59-1, is a synthetic organic compound characterized by its complex structure, which includes an ethyl ester group and a benzoyl moiety linked to an azetidine ring. This compound typically exhibits properties associated with esters, such as being a colorless to pale yellow liquid or solid, depending on its specific formulation and purity. It is likely to be soluble in organic solvents like ethanol and dichloromethane, while being less soluble in water due to its hydrophobic aromatic components. The presence of the azetidine ring suggests potential biological activity, as many compounds containing nitrogen heterocycles are known for their pharmacological properties. Ethyl 4-[2-(1-azetidinylmethyl)benzoyl]benzoate may be of interest in medicinal chemistry and drug development, particularly in the design of novel therapeutic agents. Safety data and handling precautions should be consulted, as with any chemical substance, to ensure proper usage and risk management.

Formula: C₂₀H₂₁NO₃

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

InChI key: InChIKey=CZBKJCNMULXUSZ-UHFFFAOYSA-N

SMILES: C(=O)(C1=C(CN2CCC2)C=CC=C1)C3=CC=C(C(OCC)=O)C=C3

Synonyms:

• Benzoic acid, 4-[2-(1-azetidinylmethyl)benzoyl]-, ethyl ester
• Ethyl 4-[2-(1-azetidinylmethyl)benzoyl]benzoate