CAS 898786-09-9

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

Description:

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-fluorophenyl)-1-butanone, with the CAS number 898786-09-9, is a synthetic organic compound characterized by its complex molecular structure. It features a dioxane ring, which contributes to its stability and solubility properties, along with a butanone moiety that indicates the presence of a ketone functional group. The presence of a fluorophenyl group suggests potential for unique electronic properties and reactivity, making it of interest in various chemical applications. This compound may exhibit moderate to high lipophilicity due to its hydrophobic aromatic and aliphatic components, influencing its behavior in biological systems. Additionally, the presence of the dioxane ring may provide some degree of protection against hydrolysis, enhancing its stability under certain conditions. Overall, this compound's unique structural features may render it useful in fields such as medicinal chemistry, materials science, or as an intermediate in organic synthesis. However, specific reactivity, toxicity, and environmental impact would require further investigation through empirical studies.

Formula: C₁₆H₂₁FO₃

InChI: InChI=1S/C16H21FO3/c1-16(2)10-19-15(20-11-16)5-3-4-14(18)12-6-8-13(17)9-7-12/h6-9,15H,3-5,10-11H2,1-2H3

InChI key: InChIKey=PGRNPVZWWUSQLA-UHFFFAOYSA-N

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

Synonyms:

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