CAS 898786-59-9

3-(1,3-Dioxan-2-yl)-1-[4-(trifluoromethyl)phenyl]-1-propanone

Description:

3-(1,3-Dioxan-2-yl)-1-[4-(trifluoromethyl)phenyl]-1-propanone, with the CAS number 898786-59-9, is an organic compound characterized by its complex structure that includes a dioxane ring and a trifluoromethyl-substituted phenyl group. This compound typically exhibits properties associated with both ketones and ethers due to the presence of the carbonyl group and the dioxane moiety. It is likely to be a colorless to pale yellow liquid or solid, depending on its specific form and purity. The trifluoromethyl group contributes to its lipophilicity and may enhance its biological activity, making it of interest in pharmaceutical applications. The dioxane ring can influence solubility and stability, while the overall molecular structure suggests potential reactivity in various chemical reactions, including nucleophilic substitutions and electrophilic additions. As with many organic compounds, safety data should be consulted to understand its handling and potential hazards, particularly regarding its reactivity and toxicity.

Formula: C₁₄H₁₅F₃O₃

InChI: InChI=1S/C14H15F3O3/c15-14(16,17)11-4-2-10(3-5-11)12(18)6-7-13-19-8-1-9-20-13/h2-5,13H,1,6-9H2

InChI key: InChIKey=FYWAQQNRYZMIPU-UHFFFAOYSA-N

SMILES: C(CCC1OCCCO1)(=O)C2=CC=C(C(F)(F)F)C=C2

Synonyms:

• 3-(1,3-Dioxan-2-yl)-1-[4-(trifluoromethyl)phenyl]-1-propanone
• 1-Propanone, 3-(1,3-dioxan-2-yl)-1-[4-(trifluoromethyl)phenyl]-

3-(1,3-Dioxan-2-yl)-4′-trifluoromethylpropiophenone

CAS: 898786-59-9

Formula: C₁₄H₁₅F₃O₃

Purity: 97.0%

Molecular weight: 288.266

Ref: 10-F208341