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CS-W001157 4
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(3-Cyano-2-methylphenyl)boronic acid

  • CAS No. 313546-19-9

  • Cat. No. CS-0063899
  • Purity≥96%
  • MDL No.MFCD18394417

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

(3-Cyano-2-methylphenyl)boronic acid|CS-0063899

Structure of 313546-19-9

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General Information

  • CAS No. 313546-19-9
  • Cat. No. CS-0063899
  • Purity ≥96%
  • MDL No. MFCD18394417
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BNO₂
  • Molecular Weight 160.97
  • Synonym(s) 3-Cyano-2-methylphenylboronic acid
  • SMILES CC1=C(C#N)C=CC=C1B(O)O

Description

This boronate moiety features a cyano-substituted aryl group with enhanced electron-withdrawing character, enabling efficient cross-coupling reactions. The methyl group at the ortho position provides steric stabilization and improves bench stability. This compound integrates readily into complex molecular architectures under standard conditions, offering high functional group tolerance and reliable reactivity in Suzuki-Miyaura coupling processes.

Application

(3-Cyano-2-methylphenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura coupling reactions, enabling efficient construction of biaryl scaffolds with high functional group tolerance. The ortho-cyano and methyl groups enhance regioselectivity and electronic modulation in cross-coupling, while the boronic acid moiety offers excellent bench stability and ease of purification. This reagent is well-suited for the synthesis of heterocyclic intermediates and advanced pharmaceutical precursors.

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

Quality Control

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Computational Chemistry Data

  • TPSA   64.25
  • LogP   -0.4535
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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