CAS 898772-48-0

Ethyl 3-(1-azetidinylmethyl)-δ-oxobenzenepentanoate

Description:

Ethyl 3-(1-azetidinylmethyl)-δ-oxobenzenepentanoate, with the CAS number 898772-48-0, is a chemical compound characterized by its unique structure that includes an ethyl ester functional group and a bicyclic azetidine moiety. This compound features a δ-oxobenzenepentanoate framework, which contributes to its potential biological activity. The presence of the azetidine ring suggests that it may exhibit interesting pharmacological properties, possibly influencing its interaction with biological targets. The compound is likely to be a solid or liquid at room temperature, depending on its specific molecular interactions and purity. Its synthesis may involve multi-step organic reactions, typical for compounds with complex structures. As with many organic compounds, it is essential to handle it with care, considering safety protocols, as it may possess toxicological properties. Further studies would be necessary to fully elucidate its chemical behavior, stability, and potential applications in medicinal chemistry or other fields.

Formula: C₁₇H₂₃NO₃

InChI: InChI=1S/C17H23NO3/c1-2-21-17(20)9-4-8-16(19)15-7-3-6-14(12-15)13-18-10-5-11-18/h3,6-7,12H,2,4-5,8-11,13H2,1H3

InChI key: InChIKey=KNBFVVRERFMAKY-UHFFFAOYSA-N

SMILES: C(C1=CC(C(CCCC(OCC)=O)=O)=CC=C1)N2CCC2

Synonyms:

• Ethyl 3-(1-azetidinylmethyl)-δ-oxobenzenepentanoate
• Benzenepentanoic acid, 3-(1-azetidinylmethyl)-δ-oxo-, ethyl ester
• ETHYL 5-[3-(AZETIDINOMETHYL)PHENYL]-5-OXOVALERATE
• ethyl 5-[3-(azetidin-1-ylmethyl)phenyl]-5-oxopentanoate