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AA54578

1218790-58-9 | 3-(2-Cyanoethyl)phenylboronic acid

Packsize Purity Availability Price Discounted Price    Quantity
250mg 95% in stock $249.00 $175.00 -   +
1g 95% in stock $479.00 $335.00 -   +

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Description
Catalog Number: AA54578
Chemical Name: 3-(2-Cyanoethyl)phenylboronic acid
CAS Number: 1218790-58-9
Molecular Formula: C9H10BNO2
Molecular Weight: 174.9922
MDL Number: MFCD15143461
SMILES: N#CCCc1cccc(c1)B(O)O

 

Computed Properties
Complexity: 199  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Rotatable Bond Count: 3  

 

 

Upstream Synthesis Route 
  • The (3-(2-Cyanoethyl)phenyl)boronic acid is a versatile compound commonly used in chemical synthesis for its unique reactivity and utility in various reactions. Its boronic acid group allows for selective cross-coupling reactions with organic halides, enabling the formation of carbon-carbon bonds in organic molecules. This compound has been employed in the development of pharmaceuticals, agrochemicals, and materials science due to its ability to serve as a key building block in synthetic routes. Additionally, it can participate in Suzuki-Miyaura cross-coupling reactions and palladium-catalyzed C-H bond functionalization, making it a valuable tool for organic chemists in the synthesis of complex organic molecules.
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