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CAS 1082066-30-5

:

α,α-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetonitrile

Description:
α,α-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetonitrile is a chemical compound characterized by its complex structure, which includes a benzene ring substituted with a nitrile group and a dioxaborolane moiety. The presence of the dioxaborolane group suggests potential applications in organic synthesis, particularly in reactions involving boron chemistry, such as Suzuki coupling reactions. The compound features multiple methyl groups, contributing to its steric bulk and potentially influencing its reactivity and solubility. It is likely to be a solid at room temperature, with properties that may include moderate polarity due to the nitrile and boron-containing groups. The compound's CAS number, 1082066-30-5, allows for precise identification in chemical databases. While specific physical properties such as melting point, boiling point, and solubility are not provided, compounds of this nature are often explored for their utility in materials science and medicinal chemistry, particularly in the development of pharmaceuticals or advanced materials.
Formula:C16H22BNO2
InChI:InChI=1S/C16H22BNO2/c1-14(2,11-18)12-7-9-13(10-8-12)17-19-15(3,4)16(5,6)20-17/h7-10H,1-6H3
InChI key:InChIKey=XJOJSFBFKRCJTK-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC=C(C(C#N)(C)C)C=C2
Synonyms:
  • 2-Methyl-2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanenitrile
  • Benzeneacetonitrile, α,α-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 2-Methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanenitrile
  • α,α-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetonitrile
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