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CS-W001157 4
Total: USD 88.00

Potassium trifluoro(3-(trifluoromethyl)benzyl)borate

  • CAS No. 1494466-25-9

  • Cat. No. CS-0362602
  • Purity≥97%
  • MDL No.MFCD18712965

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

Potassium trifluoro(3-(trifluoromethyl)benzyl)borate|CS-0362602

Structure of 1494466-25-9

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General Information

  • CAS No. 1494466-25-9
  • Cat. No. CS-0362602
  • Purity ≥97%
  • MDL No. MFCD18712965
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BF₆K
  • Molecular Weight 266.03
  • Synonym(s) None
  • SMILES F[B-](F)(CC1=CC=CC(C(F)(F)F)=C1)F.[K+]

Description

Potassium trifluoro(3-(trifluoromethyl)benzyl)borate delivers a sterically accessible trifluoromethylbenzyl boronate moiety, enabling direct functionalization in Suzuki-Miyaura coupling reactions under standard conditions. The electron-deficient aryl group enhances reactivity while maintaining bench stability and moisture tolerance, streamlining synthesis of complex fluorinated architectures.

Application

Potassium trifluoro(3-(trifluoromethyl)benzyl)borate serves as a stable, bench-ready boron reagent for palladium-catalyzed cross-coupling reactions. It facilitates efficient C–C bond formation with aryl and vinyl halides, enabling direct introduction of the 3-(trifluoromethyl)benzyl group into complex molecular architectures. The trifluoromethyl substituent enhances metabolic stability and lipophilicity, making it valuable in medicinal chemistry lead optimization. Its high functional group tolerance and ease of handling streamline synthetic workflows.

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

  • TPSA   0
  • LogP   0.6385
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   2

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