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potassium trifluoro(neopentyl)borate

  • CAS No. 1150655-02-9

  • Cat. No. CS-0139546
  • Purity≥97%
  • MDL No.None

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

potassium trifluoro(neopentyl)borate|CS-0139546

Structure of 1150655-02-9

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General Information

  • CAS No. 1150655-02-9
  • Cat. No. CS-0139546
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₁₁BF₃K
  • Molecular Weight 178.05
  • Synonym(s) 2,2-DIMETHYL-4-OXO-4-(2,4,5-TRIMETHYLPHENYL)BUTYRIC ACID
  • SMILES F[B-](F)(CC(C)(C)C)F.[K+]

Description

Potassium trifluoro(neopentyl)borate delivers a sterically shielded, bench-stable boronate handle ideal for cross-coupling reactions. The neopentyl group confers exceptional resistance to protodeboronation, while the trifluoroborate moiety enables efficient transmetalation under mild conditions. This reagent integrates seamlessly into Suzuki-Miyaura protocols, offering high functional group tolerance and predictable reactivity in complex molecule synthesis.

Application

Potassium trifluoro(neopentyl)borate serves as a stable, bench-friendly boron source for Suzuki-Miyaura cross-coupling reactions. Its neopentyl group enhances hydrolytic stability and minimizes protodeboronation, enabling reliable coupling with aryl and heteroaryl halides under mild conditions. The trifluoroborate moiety facilitates efficient transmetalation, offering excellent functional group tolerance and predictable reactivity in complex molecule synthesis.

Synthesis

  • Route1
    • null|null
      237741-23-0
    • ~0%
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      237741-11-6
    • In-stock
      potassium trifluoro(neopentyl)borate|CS-0139546
      1150655-02-9

    References

    • Neu, Andreas; Mennekes, Theo; Paetzold, Peter; Englert, Ulli; Hofmann, Matthias; Von Rague Schleyer, Paul Inorganica Chimica Acta, 1999 , vol. 289, # 1-2 p. 58 - 69

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   0
  • LogP   -0.1161
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   1

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