CAS 898786-55-5

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

Description:

3-(1,3-Dioxan-2-yl)-1-[2-(trifluoromethyl)phenyl]-1-propanone, with the CAS number 898786-55-5, is an organic compound characterized by its complex structure that includes a dioxane ring and a trifluoromethyl-substituted phenyl group. The presence of the dioxane moiety suggests potential applications in organic synthesis and medicinal chemistry, as dioxanes are often used as solvents or intermediates. The trifluoromethyl group is known to enhance the lipophilicity and metabolic stability of compounds, making this substance potentially interesting for pharmaceutical applications. This compound is likely to exhibit moderate to high polarity due to the presence of both the dioxane and carbonyl functionalities, which can influence its solubility and reactivity. Additionally, the trifluoromethyl group may impart unique electronic properties, affecting the compound's interaction with biological targets. Overall, this compound's unique structural features suggest it may have valuable applications in various fields, including drug development and materials science.

Formula: C₁₄H₁₅F₃O₃

InChI: InChI=1S/C14H15F3O3/c15-14(16,17)11-5-2-1-4-10(11)12(18)6-7-13-19-8-3-9-20-13/h1-2,4-5,13H,3,6-9H2

InChI key: InChIKey=AAJXKDYIORVOPT-UHFFFAOYSA-N

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

Synonyms:

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

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

CAS: 898786-55-5

Formula: C₁₄H₁₅F₃O₃

Purity: 97.0%

Molecular weight: 288.266

Ref: 10-F208339