CAS 898757-59-0

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-[4′-(trifluoromethyl)[1,1′-biphenyl]-2-yl]-1-butanone

Description:

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-[4′-(trifluoromethyl)[1,1′-biphenyl]-2-yl]-1-butanone, with the CAS number 898757-59-0, is a synthetic organic compound characterized by its complex molecular structure, which includes a dioxane ring and a trifluoromethyl-substituted biphenyl moiety. This compound typically exhibits properties such as moderate to high lipophilicity due to the presence of aromatic rings and fluorinated groups, which can influence its solubility and reactivity. The dioxane component may contribute to its stability and potential applications in various chemical reactions. Additionally, the trifluoromethyl group is known to enhance biological activity and can affect the compound's interaction with biological targets. The presence of a ketone functional group suggests potential reactivity in nucleophilic addition reactions. Overall, this compound may be of interest in fields such as medicinal chemistry, materials science, or agrochemicals, where its unique structural features could be leveraged for specific applications.

Formula: C₂₃H₂₅F₃O₃

InChI: InChI=1S/C23H25F3O3/c1-22(2)14-28-21(29-15-22)9-5-8-20(27)19-7-4-3-6-18(19)16-10-12-17(13-11-16)23(24,25)26/h3-4,6-7,10-13,21H,5,8-9,14-15H2,1-2H3

InChI key: InChIKey=SRNNWXJBZLWIMI-UHFFFAOYSA-N

SMILES: C(CCCC1OCC(C)(C)CO1)(=O)C2=C(C=CC=C2)C3=CC=C(C(F)(F)F)C=C3

Synonyms:

• 1-Butanone, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-[4′-(trifluoromethyl)[1,1′-biphenyl]-2-yl]-
• 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-[4′-(trifluoromethyl)[1,1′-biphenyl]-2-yl]-1-butanone