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CAS 898755-06-1

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3-(2,6-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one

Description:
3-(2,6-Dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one, with the CAS number 898755-06-1, is an organic compound characterized by its ketone functional group and a complex aromatic structure. This compound features a propanone backbone, where one end is substituted with a 2,6-dimethylphenyl group and the other with a 3-(trifluoromethyl)phenyl group. The presence of the trifluoromethyl group imparts unique electronic properties, enhancing the compound's lipophilicity and potentially influencing its reactivity and interactions in biological systems. The dimethyl substitution on the phenyl ring contributes to steric hindrance, which can affect the compound's conformation and stability. This substance may exhibit interesting pharmacological properties, making it of interest in medicinal chemistry and drug development. Additionally, its structural complexity suggests potential applications in materials science or as a synthetic intermediate in organic synthesis. As with many organic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.
Formula:C18H17F3O
InChI:InChI=1/C18H17F3O/c1-12-5-3-6-13(2)16(12)9-10-17(22)14-7-4-8-15(11-14)18(19,20)21/h3-8,11H,9-10H2,1-2H3
InChI key:InChIKey=SHONQMVRAVZFDV-UHFFFAOYSA-N
SMILES:C(CCC1=C(C)C=CC=C1C)(=O)C2=CC(C(F)(F)F)=CC=C2
Synonyms:
  • 3-(2,6-Dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]-1-propanone
  • 1-Propanone, 3-(2,6-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]-
  • 3-(2,6-Dimethylphenyl)-3′-trifluoromethyl-propiophenone
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