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CAS 1073355-21-1

:

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

Description:
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile is a chemical compound characterized by its unique structural features, including a dioxaborolane moiety and a trifluoromethyl group attached to a benzonitrile framework. The presence of the dioxaborolane group suggests potential applications in organoboron chemistry, particularly in cross-coupling reactions, due to its ability to participate in various chemical transformations. The trifluoromethyl group enhances the compound's lipophilicity and may influence its electronic properties, making it of interest in medicinal chemistry and materials science. This compound is likely to exhibit moderate to high stability under standard conditions, although specific reactivity can depend on the surrounding environment and functional groups. Its molecular structure may also confer unique optical or electronic properties, which could be explored in applications such as organic electronics or fluorescent materials. Overall, this compound represents a versatile building block in synthetic organic chemistry, with potential implications in various fields including pharmaceuticals and agrochemicals.
Formula:C14H15BF3NO2
InChI:InChI=1S/C14H15BF3NO2/c1-12(2)13(3,4)21-15(20-12)11-6-5-10(14(16,17)18)7-9(11)8-19/h5-7H,1-4H3
InChI key:InChIKey=OINNEFWMBQNRSL-UHFFFAOYSA-N
SMILES:C(#N)C1=C(C=CC(C(F)(F)F)=C1)B2OC(C)(C)C(C)(C)O2
Synonyms:
  • Benzonitrile, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-
  • 2-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile
  • 2-Cyano-4-(trifluoromethyl)phenylboronic acid pinacol ester
  • 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile
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