CAS 1220696-45-6

3-Cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Description:

3-Cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is an organic compound characterized by its unique structural features, including a cyclopropyl group and a dioxaborolane moiety. The presence of the benzonitrile functional group indicates that it contains a cyano group (-C≡N) attached to a benzene ring, which contributes to its potential applications in pharmaceuticals and materials science. The dioxaborolane unit is notable for its ability to participate in various chemical reactions, including Suzuki coupling, making this compound of interest in synthetic organic chemistry. The compound's molecular structure suggests it may exhibit interesting electronic properties due to the interactions between the aromatic system and the boron-containing group. Additionally, the presence of the cyclopropyl group may influence its reactivity and steric properties. Overall, this compound represents a versatile building block for further chemical synthesis and exploration in various fields, including medicinal chemistry and organic synthesis.

Formula: C₁₆H₂₀BNO₂

InChI: InChI=1S/C16H20BNO2/c1-15(2)16(3,4)20-17(19-15)14-8-11(10-18)7-13(9-14)12-5-6-12/h7-9,12H,5-6H2,1-4H3

InChI key: InChIKey=YYFKPEOWZLZMNE-UHFFFAOYSA-N

SMILES: CC1(C)OB(OC1(C)C)C2=CC(=CC(C#N)=C2)C3CC3

Synonyms:

• 3-Cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
• Benzonitrile, 3-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
• 3-Cyclopropyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile