1072946-14-5 | 4-(2-Cyanovinyl)phenylboronic acid

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Description

• Catalog Number: AD79604
• Chemical Name: 4-(2-Cyanovinyl)phenylboronic acid
• CAS Number: 1072946-14-5
• Molecular Formula: C9H8BNO2
• Molecular Weight: 172.9763
• MDL Number: MFCD09972115
• SMILES: OB(c1ccc(cc1)/C=C/C#N)O

Computed Properties

• Complexity: 223
• Covalently-Bonded Unit Count: 1
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 2

Upstream Synthesis Route

The (E)-(4-(2-Cyanovinyl)phenyl)boronic acid is a versatile chemical reagent commonly employed in organic synthesis for its ability to engage in Suzuki-Miyaura cross-coupling reactions. This enables the selective formation of carbon-carbon bonds between the boronic acid group and various aryl halides or pseudohalides, leading to the synthesis of complex organic molecules. Additionally, this compound can serve as a key building block in the preparation of pharmaceuticals, agrochemicals, and materials with specific optical or electronic properties. Its strategic placement of both a boronic acid and cyano functional group provides synthetic chemists with a valuable tool for the construction of diverse molecular architectures with high efficiency and selectivity.