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CS-W001157 4
Total: USD 88.00

(4-Cyano-2-methylphenyl)boronic acid

  • CAS No. 313546-18-8

  • Cat. No. CS-0044996
  • Purity≥96%
  • MDL No.MFCD09750473

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

(4-Cyano-2-methylphenyl)boronic acid|CS-0044996

Structure of 313546-18-8

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General Information

  • CAS No. 313546-18-8
  • Cat. No. CS-0044996
  • Purity ≥96%
  • MDL No. MFCD09750473
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BNO₂
  • Molecular Weight 160.97
  • Synonym(s) 4-Cyano-2-methylphenylboronic acid
  • SMILES OB(C1=CC=C(C#N)C=C1C)O

Application

(4-Cyano-2-methylphenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl scaffolds with enhanced electronic and steric profiles. The cyano and methyl groups provide orthogonal functional handles for downstream derivatization, while the boronic acid moiety offers excellent bench stability and compatibility with diverse reaction conditions. Its predictable reactivity and straightforward purification make it a practical choice for medicinal chemistry and materials synthesis workflows.

Synthesis

  • Route1

    References

    • Chemistry - A European Journal, , vol. 10, # 1 p. 92 - 100

Safety Information

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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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