CAS 898786-61-3

4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-[2-(trifluoromethyl)phenyl]butan-1-one

Description:

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-[2-(trifluoromethyl)phenyl]butan-1-one, with the CAS number 898786-61-3, is a synthetic organic compound characterized by its complex structure, which includes a dioxane ring and a trifluoromethyl-substituted phenyl group. This compound typically exhibits properties associated with ketones, such as being a polar solvent and having a relatively high boiling point due to its molecular weight and functional groups. The presence of the trifluoromethyl group enhances its lipophilicity and may influence its reactivity and biological activity. Additionally, the dioxane moiety can contribute to the compound's stability and solubility in organic solvents. Such compounds are often of interest in medicinal chemistry and material science due to their potential applications in drug development and as intermediates in organic synthesis. However, specific physical and chemical properties, such as melting point, boiling point, and solubility, would require empirical data for precise characterization.

Formula: C₁₇H₂₁F₃O₃

InChI: InChI=1/C17H21F3O3/c1-16(2)10-22-15(23-11-16)9-5-8-14(21)12-6-3-4-7-13(12)17(18,19)20/h3-4,6-7,15H,5,8-11H2,1-2H3

SMILES: CC1(C)COC(CCCC(=O)c2ccccc2C(F)(F)F)OC1