CAS 898786-06-6

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

Description:

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-fluorophenyl)-1-butanone, with the CAS number 898786-06-6, is a synthetic organic compound characterized by its complex molecular structure, which includes a dioxane ring and a fluorophenyl group. This compound typically exhibits properties associated with ketones, such as being a liquid at room temperature and having a distinct odor. The presence of the dioxane moiety may contribute to its solubility in organic solvents, while the fluorine atom can influence its reactivity and polarity. The compound may be of interest in various fields, including medicinal chemistry and materials science, due to its potential biological activity and utility in synthesizing other chemical entities. Its specific reactivity, stability, and interaction with biological systems would depend on the functional groups present and their spatial arrangement, making it a candidate for further research in drug development or as an intermediate in organic synthesis.

Formula: C₁₆H₂₁FO₃

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

InChI key: InChIKey=AUAGLVYODZARRK-UHFFFAOYSA-N

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

Synonyms:

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