CAS 898756-20-2

Methanone, (3-chloro-4-fluorophenyl)[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]-

Description:

Methanone, (3-chloro-4-fluorophenyl)[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]- is a complex organic compound characterized by its unique structural features. It contains a methanone functional group, which is indicative of a ketone, and is substituted with a 3-chloro-4-fluorophenyl moiety, contributing to its potential reactivity and biological activity. The presence of the spirocyclic structure, specifically the 1,4-dioxa-8-azaspiro[4.5]decane, suggests that this compound may exhibit interesting conformational properties and could be relevant in medicinal chemistry. The chlorine and fluorine substituents can influence the compound's lipophilicity, stability, and interaction with biological targets. Additionally, the compound's molecular weight, solubility, and potential applications in pharmaceuticals or agrochemicals would depend on its overall structure and substituents. As with many synthetic organic compounds, understanding its characteristics requires consideration of its synthesis, reactivity, and potential uses in various fields, including drug development and material science.

Formula: C₂₁H₂₁ClFNO₃

InChI: InChI=1S/C21H21ClFNO3/c22-18-13-15(5-6-19(18)23)20(25)17-4-2-1-3-16(17)14-24-9-7-21(8-10-24)26-11-12-27-21/h1-6,13H,7-12,14H2

InChI key: InChIKey=NKGNCYAINVJNQB-UHFFFAOYSA-N

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

Synonyms:

• (3-Chloro-4-fluorophenyl)[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]methanone
• Methanone, (3-chloro-4-fluorophenyl)[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]-

3-chloro-2′-[8-(1,4-dioxa-8-azaspiro[4.5]decyl)methyl]-4-fluorobenzophenone

CAS: 898756-20-2

Formula: C₂₁H₂₁ClFNO₃

Purity: 97.0%

Molecular weight: 389.85

Ref: 10-F205366