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CS-W001157 4
Total: USD 88.00

3-Cyano-4-fluorobenzeneboronic acid

  • CAS No. 214210-21-6

  • Cat. No. CS-D1035
  • Purity≥97%
  • MDL No.MFCD03095130

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

3-Cyano-4-fluorobenzeneboronic acid|CS-D1035

Structure of 214210-21-6

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General Information

  • CAS No. 214210-21-6
  • Cat. No. CS-D1035
  • Purity ≥97%
  • MDL No. MFCD03095130
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BFNO₂
  • Molecular Weight None
  • Synonym(s) 3-Cyano-4-fluorophneylboronic acid
  • SMILES FC1=CC=C(B(O)O)C=C1C#N

Description

3-Cyano-4-fluorobenzeneboronic acid features a boronic acid group flanked by electron-withdrawing cyano and fluorine substituents, enhancing its stability and reactivity in Suzuki-Miyaura coupling. This combination enables efficient carbon-carbon bond formation under mild conditions, delivering high yields with minimal protodeboronation. The compound’s bench-stable nature simplifies handling and storage in synthetic workflows.

Application

3-Cyano-4-fluorobenzeneboronic acid serves as a versatile building block in Suzuki-Miyaura coupling reactions, enabling efficient construction of biaryl scaffolds with high functional group tolerance. The cyano and fluorine substituents provide orthogonal reactivity for downstream modifications, while the boronic acid moiety offers excellent stability and ease of purification under standard bench conditions.

Synthesis

  • Route1
    • null|null
      5419-55-6
    • 5-Bromo-2-fluorobenzonitrile Olaparib Impurity|CS-0214082
      179897-89-3
    • ~%
    • In-stock
      3-Cyano-4-fluorobenzeneboronic acid|CS-D1035
      214210-21-6

    References

    • US6300352 B1, ; US 6300352 B1
  • Route2
    • 5-Bromo-2-fluorobenzonitrile Olaparib Impurity|CS-0214082
      179897-89-3
    • ~%
    • In-stock
      3-Cyano-4-fluorobenzeneboronic acid|CS-D1035
      214210-21-6

    References

    • WO2006/45350 A1, ; Page/Page column 62-63 ; WO 2006/045350 A1
  • Route3
    • 5-Bromo-2-fluorobenzonitrile Olaparib Impurity|CS-0214082
      179897-89-3
    • In-stock
      Bis(pinacolato)diborane|CS-D1216
      73183-34-3
    • ~%
    • In-stock
      3-Cyano-4-fluorobenzeneboronic acid|CS-D1035
      214210-21-6

    References

    • US6339099 B1, ; Page column 83-86 ;

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-H312-H315-H319-H332-H335
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P304+P341-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P363-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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