CAS 898786-04-4

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(2-fluorophenyl)-1-butanone

Description:

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(2-fluorophenyl)-1-butanone, with the CAS number 898786-04-4, is a synthetic organic compound characterized by its complex molecular structure. It features a dioxane ring, which contributes to its stability and solubility properties, and a fluorophenyl group that may enhance its biological activity or interaction with other molecules. The presence of a butanone moiety indicates that it possesses a ketone functional group, which can participate in various chemical reactions, including nucleophilic additions. This compound may exhibit unique physical properties such as specific melting and boiling points, solubility in organic solvents, and potential reactivity under certain conditions. Its structural features suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. However, detailed studies would be necessary to fully understand its biological activity, toxicity, and environmental impact. As with any chemical substance, proper handling and safety measures should be observed during its use and experimentation.

Formula: C₁₆H₂₁FO₃

InChI: InChI=1S/C16H21FO3/c1-16(2)10-19-15(20-11-16)9-5-8-14(18)12-6-3-4-7-13(12)17/h3-4,6-7,15H,5,8-11H2,1-2H3

InChI key: InChIKey=XEEUXVRRXFMXDX-UHFFFAOYSA-N

SMILES: C(CCCC1OCC(C)(C)CO1)(=O)C2=C(F)C=CC=C2

Synonyms:

• 1-Butanone, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(2-fluorophenyl)-
• 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(2-fluorophenyl)-1-butanone