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AB57989

1185427-07-9 | 1-BOC-5-cyanoindole-3-boronic acid, pinacol ester

Packsize Purity Availability Price Discounted Price    Quantity
250mg 98% in stock $98.00 $69.00 -   +
1g 98% in stock $179.00 $125.00 -   +
5g 98% in stock $853.00 $597.00 -   +
25g 98% in stock $2,625.00 $1,837.00 -   +

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Description
Catalog Number: AB57989
Chemical Name: 1-BOC-5-cyanoindole-3-boronic acid, pinacol ester
CAS Number: 1185427-07-9
Molecular Formula: C20H25BN2O4
Molecular Weight: 368.2345
MDL Number: MFCD15143604
SMILES: N#Cc1ccc2c(c1)c(cn2C(=O)OC(C)(C)C)B1OC(C(O1)(C)C)(C)C

 

Computed Properties
Complexity: 632  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 27  
Hydrogen Bond Acceptor Count: 5  
Rotatable Bond Count: 3  

 

 

Upstream Synthesis Route 
  • The tert-Butyl 5-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate compound finds significant utility in chemical synthesis as a versatile building block for the construction of complex organic molecules. This compound serves as a valuable reagent for the introduction of the cyano group, which is a vital functional group in medicinal chemistry and materials science. By incorporating this specific combination of functional groups into a molecule, chemists can access a wide range of novel chemical structures with potential applications in drug discovery, materials development, and organic synthesis strategies.
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