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CAS 863868-28-4

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2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzonitrile

Description:
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzonitrile, with the CAS number 863868-28-4, is an organic compound characterized by its complex structure that includes a dioxaborolane moiety and a trifluoromethyl-substituted benzonitrile. The presence of the dioxaborolane group suggests potential applications in organic synthesis, particularly in cross-coupling reactions, due to its ability to participate in boron-based chemistry. The trifluoromethyl group enhances the compound's lipophilicity and may influence its electronic properties, making it useful in medicinal chemistry and materials science. This compound is likely to exhibit moderate to high stability under standard conditions, but its reactivity can be influenced by the presence of functional groups. Additionally, the compound's solubility and behavior in various solvents can vary, which is important for its application in chemical reactions. Overall, this substance represents a valuable building block in the synthesis of more complex organic molecules.
Formula:C14H15BF3NO2
InChI:InChI=1S/C14H15BF3NO2/c1-12(2)13(3,4)21-15(20-12)11-7-10(14(16,17)18)6-5-9(11)8-19/h5-7H,1-4H3
InChI key:InChIKey=IUMGFEGPPUQZBJ-UHFFFAOYSA-N
SMILES:C(#N)C1=C(B2OC(C)(C)C(C)(C)O2)C=C(C(F)(F)F)C=C1
Synonyms:
  • Benzonitrile, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-
  • 2-Cyano-5-(trifluoromethyl)phenylboronic acid pinacol ester
  • 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzonitrile
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