CAS 842123-89-1

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

Description:

3-(1,3-Dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]-1-propanone, with the CAS number 842123-89-1, is an organic compound characterized by its unique structural features. It contains a dioxolane ring, which contributes to its stability and reactivity, and a trifluoromethyl group that enhances its lipophilicity and may influence its biological activity. The presence of the ketone functional group indicates that it can participate in various chemical reactions, such as nucleophilic additions or reductions. This compound is likely to be a solid or liquid at room temperature, depending on its molecular weight and intermolecular interactions. Its trifluoromethyl group can also impart unique electronic properties, making it of interest in medicinal chemistry and materials science. Additionally, the compound's potential applications may include use as an intermediate in organic synthesis or in the development of pharmaceuticals, given the importance of trifluoromethylated compounds in drug design. Safety and handling precautions should be observed due to the presence of fluorinated groups, which can pose environmental and health risks.

Formula: C₁₃H₁₃F₃O₃

InChI: InChI=1S/C13H13F3O3/c14-13(15,16)10-3-1-2-9(8-10)11(17)4-5-12-18-6-7-19-12/h1-3,8,12H,4-7H2

InChI key: InChIKey=PYBQEGVBKIEXNI-UHFFFAOYSA-N

SMILES: C(CCC1OCCO1)(=O)C2=CC(C(F)(F)F)=CC=C2

Synonyms:

• 3-(1,3-Dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]-1-propanone
• 1-Propanone, 3-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]-