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AE43960

1218791-28-6 | 2-Cyano-5-nitrophenylboronic acid, pinacol ester

Packsize Purity Availability Price Discounted Price    Quantity
100mg 97% in stock $60.00 $42.00 -   +
250mg 97% in stock $100.00 $70.00 -   +
1g 97% in stock $155.00 $108.00 -   +
5g 97% in stock $573.00 $402.00 -   +
10g 97% in stock $946.00 $662.00 -   +
25g 97% in stock $1,879.00 $1,316.00 -   +

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Description
Catalog Number: AE43960
Chemical Name: 2-Cyano-5-nitrophenylboronic acid, pinacol ester
CAS Number: 1218791-28-6
Molecular Formula: C13H15BN2O4
Molecular Weight: 274.0802
MDL Number: MFCD12546472
SMILES: N#Cc1ccc(cc1B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]

 

Computed Properties
Complexity: 435  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 5  
Rotatable Bond Count: 1  

 

 

Upstream Synthesis Route 
  • 4-Nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is a versatile compound that finds wide application in chemical synthesis. This compound is commonly employed as a building block in the construction of various organic molecules due to its unique reactivity and functional groups. In particular, it is utilized in Suzuki-Miyaura cross-coupling reactions as a boronic ester, enabling the formation of new carbon-carbon bonds. Additionally, the nitro group in the molecule can serve as a handle for further derivatization, allowing for the introduction of a variety of functional groups into the synthesized compounds. These versatile characteristics make 4-Nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile a valuable tool in the toolbox of synthetic chemists for the efficient assembly of complex organic molecules.
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