CAS 898756-36-0

Methanone, (4-bromo-2-fluorophenyl)[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]-

Description:

Methanone, (4-bromo-2-fluorophenyl)[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]- is a complex organic compound characterized by its unique structural features, including a methanone functional group and a spirocyclic structure. The presence of bromine and fluorine substituents on the phenyl rings contributes to its chemical reactivity and potential biological activity. The compound contains a dioxane moiety, which may influence its solubility and interaction with biological systems. Its spirocyclic structure, featuring an azaspiro unit, suggests potential applications in medicinal chemistry, particularly in drug design, due to the structural diversity it offers. The compound's molecular interactions, stability, and reactivity can be influenced by the electronic effects of the halogen substituents and the overall steric environment. As with many synthetic organic compounds, understanding its properties requires consideration of its synthesis, potential applications, and safety profile, particularly in terms of handling and environmental impact.

Formula: C₂₁H₂₁BrFNO₃

InChI: InChI=1S/C21H21BrFNO3/c22-16-5-6-18(19(23)13-16)20(25)17-4-2-1-3-15(17)14-24-9-7-21(8-10-24)26-11-12-27-21/h1-6,13H,7-12,14H2

InChI key: InChIKey=KBISKFFTGWVRLB-UHFFFAOYSA-N

SMILES: C(N1CCC2(CC1)OCCO2)C3=C(C(=O)C4=C(F)C=C(Br)C=C4)C=CC=C3

Synonyms:

• (4-Bromo-2-fluorophenyl)[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]methanone
• Methanone, (4-bromo-2-fluorophenyl)[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]-