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CS-W001157 4
Total: USD 88.00

(3-(Cyanomethyl)phenyl)boronic acid

  • CAS No. 220616-39-7

  • Cat. No. CS-0174449
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

(3-(Cyanomethyl)phenyl)boronic acid|CS-0174449

Structure of 220616-39-7

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General Information

  • CAS No. 220616-39-7
  • Cat. No. CS-0174449
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BNO₂
  • Molecular Weight 160.97
  • Synonym(s) 3-Cyanomethylphenylboronic acid
  • SMILES OB(O)C1=CC=CC(CC#N)=C1

Description

This boronate moiety integrates a cyanomethyl group at the meta position of a phenyl ring, delivering enhanced stability and compatibility in cross-coupling reactions. The electron-withdrawing nitrile imparts favorable reactivity profiles for Suzuki-Miyaura transformations under standard conditions.

Application

(3-(Cyanomethyl)phenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl scaffolds with retained nitrile functionality. The cyanomethyl group offers orthogonal reactivity for downstream transformations, while the boronic acid moiety ensures good bench stability and compatibility with diverse reaction conditions. Its well-defined structure facilitates purification and integration into complex molecular architectures relevant to medicinal chemistry and materials science.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   64.25
  • LogP   -0.56752
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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