CAS 477847-82-8

3,3-Bis[[3-(trifluoromethyl)phenyl]methyl]-2,4-pentanedione

Description:

3,3-Bis[[3-(trifluoromethyl)phenyl]methyl]-2,4-pentanedione, with the CAS number 477847-82-8, is an organic compound characterized by its complex structure featuring a pentanedione backbone substituted with trifluoromethylphenyl groups. This compound typically exhibits properties associated with diketones, such as being a potential chelating agent due to the presence of two carbonyl groups. The trifluoromethyl groups enhance its lipophilicity and may influence its reactivity and interaction with other chemical species. The presence of fluorine atoms often imparts unique electronic properties, making the compound of interest in various applications, including materials science and medicinal chemistry. Additionally, the compound's structure suggests potential for coordination with metal ions, which could be relevant in catalysis or as a ligand in coordination chemistry. Its stability, solubility, and reactivity would depend on the specific conditions and solvents used, making it a versatile compound for research and industrial applications.

Formula: C₂₁H₁₈F₆O₂

InChI: InChI=1S/C21H18F6O2/c1-13(28)19(14(2)29,11-15-5-3-7-17(9-15)20(22,23)24)12-16-6-4-8-18(10-16)21(25,26)27/h3-10H,11-12H2,1-2H3

InChI key: InChIKey=XDMLTYLOJMGAOS-UHFFFAOYSA-N

SMILES: C(CC1=CC(C(F)(F)F)=CC=C1)(CC2=CC(C(F)(F)F)=CC=C2)(C(C)=O)C(C)=O

Synonyms:

• 3,3-Bis[[3-(trifluoromethyl)phenyl]methyl]-2,4-pentanedione
• 2,4-Pentanedione, 3,3-bis[[3-(trifluoromethyl)phenyl]methyl]-