CAS 898755-96-9

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

Description:

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(5-fluoro-2-methylphenyl)-1-butanone, with the CAS number 898755-96-9, is a synthetic organic compound characterized by its complex molecular structure, which includes a dioxane ring and a butanone moiety. This compound features a fluorinated aromatic ring, which can influence its chemical reactivity and biological activity. The presence of the dioxane ring contributes to its stability and solubility in organic solvents. Typically, compounds like this may exhibit properties such as moderate to high lipophilicity due to the aromatic and aliphatic components, which can affect their interaction with biological systems. The fluorine atom can enhance the compound's metabolic stability and alter its pharmacokinetic properties. Such compounds are often studied for their potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. However, specific characteristics such as melting point, boiling point, and solubility would require empirical data for precise determination.

Formula: C₁₇H₂₃FO₃

InChI: InChI=1S/C17H23FO3/c1-12-7-8-13(18)9-14(12)15(19)5-4-6-16-20-10-17(2,3)11-21-16/h7-9,16H,4-6,10-11H2,1-3H3

InChI key: InChIKey=IIYODZVVRFMPIN-UHFFFAOYSA-N

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

Synonyms:

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