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CS-W001157 4
Total: USD 88.00

5-Cyano-2-fluorobenzeneboronic acid

  • CAS No. 468718-30-1

  • Cat. No. CS-W008697
  • Purity≥95%
  • MDL No.MFCD03095147

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

5-Cyano-2-fluorobenzeneboronic acid|CS-W008697

Structure of 468718-30-1

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General Information

  • CAS No. 468718-30-1
  • Cat. No. CS-W008697
  • Purity ≥95%
  • MDL No. MFCD03095147
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BFNO₂
  • Molecular Weight 164.93
  • Synonym(s) 5-Cyano-2-fluorophenylboronic acid
  • SMILES FC1=CC=C(C#N)C=C1B(O)O

Description

5-Cyano-2-fluorobenzeneboronic acid features a boronate group flanked by electron-withdrawing cyano and fluorine substituents, enhancing its stability and reactivity in Suzuki-Miyaura coupling. This bench-stable reagent integrates efficiently into complex molecular architectures under standard conditions.

Application

5-Cyano-2-fluorobenzeneboronic acid serves as a versatile building block in Suzuki-Miyaura coupling reactions, enabling the construction of biaryl and heteroaryl scaffolds with high functional group tolerance. The cyano and fluorine substituents provide orthogonal reactivity and enhance metabolic stability in medicinal chemistry applications. Its bench-stable nature and ease of purification make it well-suited for routine synthetic workflows in pharmaceutical and agrochemical R&D.

Synthesis

  • Route1
    • null|null
      121-43-7
    • null|null
      1194-02-1
    • ~72%
    • In-stock
      5-Cyano-2-fluorobenzeneboronic acid|CS-W008697
      468718-30-1
    • null|null
      468717-46-6

    References

    • US2003/73849 A1, ; US 20030073849 A1

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   -0.62282
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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