CAS 898757-19-2

Ethyl 4-(1-azetidinylmethyl)-γ-oxobenzenebutanoate

Description:

Ethyl 4-(1-azetidinylmethyl)-γ-oxobenzenebutanoate, identified by its CAS number 898757-19-2, is a chemical compound that features a complex structure incorporating an ethyl ester functional group, an azetidine ring, and a γ-oxobenzenebutanoate moiety. This compound is characterized by its potential biological activity, which may include interactions with various biological targets due to the presence of the azetidine ring, a common motif in medicinal chemistry. The γ-oxobenzenebutanoate portion suggests that it may exhibit properties related to both aromatic and aliphatic chemistry, potentially influencing its solubility and reactivity. Ethyl esters generally have moderate volatility and can participate in various chemical reactions, including hydrolysis and esterification. The specific characteristics, such as melting point, boiling point, and solubility, would depend on the compound's purity and the conditions under which it is studied. Overall, this compound may be of interest in pharmaceutical research and development, particularly in the context of drug design and synthesis.

Formula: C₁₆H₂₁NO₃

InChI: InChI=1S/C16H21NO3/c1-2-20-16(19)9-8-15(18)14-6-4-13(5-7-14)12-17-10-3-11-17/h4-7H,2-3,8-12H2,1H3

InChI key: InChIKey=KWZFYBJWTXOJAH-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 4-(1-azetidinylmethyl)-γ-oxobenzenebutanoate
• Benzenebutanoic acid, 4-(1-azetidinylmethyl)-γ-oxo-, ethyl ester