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CS-W001157 4
Total: USD 88.00

(2-Cyano-4-methylphenyl)boronic acid

  • CAS No. 1328882-30-9

  • Cat. No. CS-W021062
  • Purity≥96%
  • MDL No.MFCD18394414

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

(2-Cyano-4-methylphenyl)boronic acid|CS-W021062

Structure of 1328882-30-9

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General Information

  • CAS No. 1328882-30-9
  • Cat. No. CS-W021062
  • Purity ≥96%
  • MDL No. MFCD18394414
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BNO₂
  • Molecular Weight 160.97
  • Synonym(s) (2-Cyano-4-methylphenyl)
  • SMILES CC1=CC(C#N)=C(C=C1)B(O)O

Description

This boronate moiety features a cyano group ortho to the boronic acid, enhancing electronic withdrawal and stabilizing the boron center. The methyl substituent provides steric and electronic tuning, improving reactivity in Suzuki-Miyaura couplings under standard conditions.

Application

(2-Cyano-4-methylphenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura coupling reactions, enabling efficient construction of biaryl scaffolds under mild conditions. Its cyano and methyl groups confer enhanced stability and modulate electronic properties, while the boronic acid functionality facilitates reliable cross-coupling with aryl halides and triflates. The compound exhibits good bench stability, ease of purification, and compatibility with diverse functional groups, making it well-suited for medicinal chemistry and process development workflows.

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   -0.4535
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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