CAS 1214900-09-0

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

Description:

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzenepropanenitrile is an organic compound characterized by the presence of a nitrile functional group and a boron-containing dioxaborolane moiety. The compound features a benzene ring substituted with a propanenitrile group, which contributes to its potential applications in organic synthesis and materials science. The dioxaborolane structure enhances its reactivity, particularly in cross-coupling reactions, making it valuable in the development of pharmaceuticals and agrochemicals. The presence of tetramethyl groups in the dioxaborolane enhances its stability and solubility in organic solvents. This compound is likely to exhibit moderate to high polarity due to the nitrile group, which can influence its interactions in various chemical environments. Additionally, its unique structural features may impart specific optical or electronic properties, making it of interest in the field of organic electronics or as a building block in complex molecular architectures. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.

Formula: C₁₅H₂₀BNO₂

InChI: InChI=1S/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)13-9-5-7-12(11-13)8-6-10-17/h5,7,9,11H,6,8H2,1-4H3

InChI key: InChIKey=IVNBWGAHDFQQGC-UHFFFAOYSA-N

SMILES: CC1(C)OB(OC1(C)C)C2=CC(CCC#N)=CC=C2

Synonyms:

• Benzenepropanenitrile, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
• 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzenepropanenitrile