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CAS 866141-77-7

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1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)phenyl]ethanone

Description:
1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)phenyl]ethanone, with CAS number 866141-77-7, is an organic compound characterized by its complex structure that includes a ketone functional group and a boron-containing moiety. The presence of the trifluoromethyl group enhances its electron-withdrawing properties, which can influence its reactivity and interactions in various chemical environments. The dioxaborolane ring contributes to its stability and potential applications in organic synthesis, particularly in cross-coupling reactions. This compound is likely to exhibit moderate solubility in organic solvents due to its hydrophobic characteristics, while the boron atom may facilitate coordination with other nucleophiles. Its unique structural features make it a candidate for use in materials science, pharmaceuticals, and agrochemicals, where specific reactivity and functionalization are desired. Safety data and handling precautions should be observed, as with all chemical substances, to mitigate any potential hazards associated with its use.
Formula:C15H18BF3O3
InChI:InChI=1S/C15H18BF3O3/c1-9(20)10-6-7-12(11(8-10)15(17,18)19)16-21-13(2,3)14(4,5)22-16/h6-8H,1-5H3
InChI key:InChIKey=YIHOSGUAVFFLEY-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(C=CC(C(C)=O)=C1)B2OC(C)(C)C(C)(C)O2
Synonyms:
  • Ethanone, 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)phenyl]-
  • 1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)phenyl]ethanone
  • 2-Trifluoromethyl-4-acetylphenylboronic acid pinacol ester
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