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CS-W001157 4
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Potassium trifluoro(2-hydroxyphenyl)borate

  • CAS No. 850313-92-7

  • Cat. No. CS-0187739
  • Purity≥95%
  • MDL No.None

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

Potassium trifluoro(2-hydroxyphenyl)borate|CS-0187739

Structure of 850313-92-7

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General Information

  • CAS No. 850313-92-7
  • Cat. No. CS-0187739
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅BF₃KO
  • Molecular Weight 200.01
  • Synonym(s) Potassium 2-hydroxyphenyltrifluoroborate
  • SMILES C1=CC=C(C(=C1)[B-](F)(F)F)O.[K+]

Description

Potassium trifluoro(2-hydroxyphenyl)borate features a boronate group flanked by a phenolic hydroxyl, enhancing solubility and stability in aqueous media. This bench-stable reagent facilitates direct C–C bond formation under mild conditions, enabling efficient coupling in Suzuki-Miyaura reactions. The ortho-hydroxy functionality enables chelation-assisted activation, improving reaction kinetics and selectivity.

Application

Potassium trifluoro(2-hydroxyphenyl)borate serves as a stable, bench-ready boron source for Suzuki-Miyaura cross-coupling reactions. The ortho-hydroxyphenyl group enhances regioselective coupling and facilitates in situ stabilization of the boronate intermediate. It exhibits good functional group tolerance and enables efficient C–C bond formation under mild conditions, making it a practical building block for biaryl scaffolds in medicinal chemistry and materials synthesis.

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   -1.5494
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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