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CAS 856167-68-5

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Benzonitrile, 2-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

Description:
Benzonitrile, 2-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, identified by CAS number 856167-68-5, is an organic compound characterized by its unique structure that includes a benzonitrile moiety and a boron-containing dioxaborolane group. This compound typically exhibits properties associated with both aromatic and nitrile functionalities, such as moderate polarity and potential reactivity in nucleophilic substitution reactions. The presence of the dioxaborolane group suggests that it may participate in boron-mediated reactions, making it of interest in synthetic organic chemistry, particularly in the context of boron chemistry and organometallic applications. Additionally, the branched alkyl group (2-methylpropyl) may influence its solubility and reactivity, potentially enhancing its utility in various chemical transformations. Overall, this compound's structural features position it as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals.
Formula:C17H24BNO2
InChI:InChI=1S/C17H24BNO2/c1-12(2)9-13-7-8-15(10-14(13)11-19)18-20-16(3,4)17(5,6)21-18/h7-8,10,12H,9H2,1-6H3
InChI key:InChIKey=AGWWXUHIACCORS-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(C#N)=C(CC(C)C)C=C2
Synonyms:
  • [3-Cyano-4-(2-methylpropyl)phenyl]boronic acid pinacol ester
  • Benzonitrile, 2-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 2-(2-Methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
  • 2-Isobutyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
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