CAS 898757-25-0

Ethyl 4-(1-azetidinylmethyl)-ε-oxobenzenehexanoate

Description:

Ethyl 4-(1-azetidinylmethyl)-ε-oxobenzenehexanoate, identified by its CAS number 898757-25-0, is a chemical compound that features a complex structure combining an ethyl ester with an azetidine moiety. This compound typically exhibits characteristics such as moderate solubility in organic solvents and potential reactivity due to the presence of functional groups like the ester and the azetidine ring. The azetidine ring may impart unique steric and electronic properties, influencing its reactivity and interactions in chemical reactions. Additionally, the presence of the benzene ring contributes to its aromatic characteristics, which can affect its stability and potential applications in pharmaceuticals or organic synthesis. The compound's specific properties, such as melting point, boiling point, and spectral characteristics, would require empirical measurement or detailed literature references for precise values. Overall, this compound's unique structural features suggest potential utility in various chemical applications, particularly in medicinal chemistry or as a building block in organic synthesis.

Formula: C₁₈H₂₅NO₃

InChI: InChI=1/C18H25NO3/c1-2-22-18(21)7-4-3-6-17(20)16-10-8-15(9-11-16)14-19-12-5-13-19/h8-11H,2-7,12-14H2,1H3

InChI key: InChIKey=JVMVFNAWQBHMLC-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 4-(1-azetidinylmethyl)-ε-oxobenzenehexanoate
• Benzenehexanoic acid, 4-(1-azetidinylmethyl)-ε-oxo-, ethyl ester
• Ethyl 6-(4-(azetidin-1-ylmethyl)phenyl)-6-oxohexanoate
• ETHYL 6-[4-(AZETIDINOMETHYL)PHENYL]-6-OXOHEXANOATE