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CAS 1256359-33-7

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2-[2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetonitrile

Description:
2-[2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetonitrile is a chemical compound characterized by its complex structure, which includes a phenoxy group and a nitrile functional group. The presence of the dioxaborolane moiety suggests that this compound may exhibit unique reactivity, particularly in cross-coupling reactions, making it potentially useful in organic synthesis and materials science. The dimethyl and tetramethyl substituents contribute to its steric bulk, which can influence its solubility and reactivity. This compound is likely to be a solid at room temperature, with moderate to low solubility in polar solvents due to its hydrophobic characteristics. Its applications may extend to pharmaceuticals, agrochemicals, or as an intermediate in the synthesis of more complex molecules. Safety data should be consulted for handling, as the presence of nitrile groups can indicate potential toxicity or environmental hazards. Overall, this compound exemplifies the intricate design often found in modern organic chemistry, particularly in the development of functional materials.
Formula:C16H22BNO3
InChI:InChI=1S/C16H22BNO3/c1-11-9-13(10-12(2)14(11)19-8-7-18)17-20-15(3,4)16(5,6)21-17/h9-10H,8H2,1-6H3
InChI key:InChIKey=JUBYKYNIXFNKIL-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(C)=C(OCC#N)C(C)=C2
Synonyms:
  • 2-[2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetonitrile
  • Acetonitrile, 2-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-
  • 4-Cyanomethoxy-3,5-dimethylphenylboronic acid pinacol ester
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