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CAS 214360-47-1

:

2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile

Description:
2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile, with the CAS number 214360-47-1, is an organoboron compound characterized by the presence of a dioxaborinane moiety and a benzonitrile group. This compound typically exhibits a stable structure due to the boron atom's ability to form strong covalent bonds. The dioxaborinane ring contributes to its unique reactivity, particularly in cross-coupling reactions, making it valuable in organic synthesis and materials science. The benzonitrile portion introduces a cyano group, which can enhance the compound's electronic properties and solubility in organic solvents. Additionally, the presence of dimethyl substituents on the dioxaborinane ring can influence steric hindrance and reactivity. Overall, this compound is of interest in various applications, including pharmaceuticals, agrochemicals, and as a building block in the synthesis of more complex organic molecules. Its specific properties, such as melting point, boiling point, and solubility, would need to be determined experimentally or sourced from reliable databases for precise applications.
Formula:C12H14BNO2
InChI:InChI=1S/C12H14BNO2/c1-12(2)8-15-13(16-9-12)11-6-4-3-5-10(11)7-14/h3-6H,8-9H2,1-2H3
InChI key:InChIKey=QHAYLPAKZXKQSE-UHFFFAOYSA-N
SMILES:C(#N)C1=C(C=CC=C1)B2OCC(C)(C)CO2
Synonyms:
  • (2-Cyanophenyl)boronic acid 2,2-dimethylpropane-1,3-diol cyclic ester
  • 2,2-Dimethyltrimethylene (2-cyanophenyl)boronate
  • 2-(2-Cyanophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
  • 2-(5,5-Dimethyl-1,3,2-Dioxaborinan-2-Yl)Benzonitrile
  • 2-Cyanophenylboronic acid 2,2-dimethylpropanediol-1,3-cyclic ester
  • Benzonitrile, 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-
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