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CS-W001157 4
Total: USD 88.00

Potassium (4-cyanophenyl)trifluoroborate

  • CAS No. 850623-36-8

  • Cat. No. CS-W015180
  • Purity≥97%
  • MDL No.MFCD04115736

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

Potassium (4-cyanophenyl)trifluoroborate|CS-W015180

Structure of 850623-36-8

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General Information

  • CAS No. 850623-36-8
  • Cat. No. CS-W015180
  • Purity ≥97%
  • MDL No. MFCD04115736
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BF₃KN
  • Molecular Weight 209.02
  • Synonym(s) potassium (4-cyanophenyl)-trifluoroboranuide
  • SMILES F[B-](F)(C1=CC=C(C#N)C=C1)F.[K+]

Description

Potassium (4-cyanophenyl)trifluoroborate delivers a stable, bench-tolerant boronate moiety paired with a para-cyano group, enabling direct Suzuki-Miyaura coupling without preactivation. This reagent integrates seamlessly into synthetic workflows requiring electron-deficient aryl transfer, offering high functional group tolerance and reliable yields under standard conditions.

Application

Potassium (4-cyanophenyl)trifluoroborate serves as a stable, bench-ready boron source for Suzuki-Miyaura cross-coupling reactions. Its cyano group enhances electrophilic reactivity and enables downstream transformations such as amidation or hydrolysis. The trifluoroborate moiety offers excellent functional group tolerance and compatibility with diverse reaction conditions, facilitating efficient construction of biaryl scaffolds in medicinal chemistry and materials science applications.

Synthesis

  • Route1

    References

    • Lennox, Alastair J. J.; Lloyd-Jones, Guy C. Angewandte Chemie - International Edition, 2012 , vol. 51, # 37 p. 9385 - 9388
  • Route2

    References

    • Molander, Gary A.; Cavalcanti, Livia N.; Garcia-Garcia, Carolina Journal of Organic Chemistry, 2013 , vol. 78, # 13 p. 6427 - 6439
  • Route3
    • null|null
      138373-10-1
    • ~82%
    • In-stock
      Potassium (4-cyanophenyl)trifluoroborate|CS-W015180
      850623-36-8

    References

    • Molander, Gary A.; Cavalcanti, Livia N.; Garcia-Garcia, Carolina Journal of Organic Chemistry, 2013 , vol. 78, # 13 p. 6427 - 6439

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   23.79
  • LogP   -1.38332
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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