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CS-W001157 4
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Tetrabutylammonium 2,2,2-trifluoroacetate

  • CAS No. 39481-22-6

  • Cat. No. CS-0964587
  • Purity≥98%
  • MDL No.None

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

Tetrabutylammonium 2,2,2-trifluoroacetate|CS-0964587

Structure of 39481-22-6

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General Information

  • CAS No. 39481-22-6
  • Cat. No. CS-0964587
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₃₆F₃NO₂
  • Molecular Weight 355.48
  • Synonym(s) None
  • SMILES O=C([O-])C(F)(F)F.CCCC[N+](CCCC)(CCCC)CCCC

Description

Tetrabutylammonium 2,2,2-trifluoroacetate delivers a robust trifluoromethyl anion equivalent under mild conditions. This bench-stable salt features a lipophilic counterion that enhances solubility in organic media, enabling efficient carbon–carbon bond formation. The electron-deficient trifluoromethyl group facilitates nucleophilic transfer reactions with electrophiles such as carbonyls and imines.

Application

Tetrabutylammonium 2,2,2-trifluoroacetate serves as a stable, bench-friendly source of trifluoromethyl anion equivalents in nucleophilic trifluoromethylation reactions. Its high solubility in organic solvents and compatibility with a range of electrophiles enables efficient C–CF₃ bond formation under mild conditions. The reagent facilitates the introduction of trifluoromethyl groups into heterocycles, aryl halides, and carbonyl compounds, offering reliable functional group tolerance and straightforward purification.

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-P305+P351+P338-P362+P364

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Computational Chemistry Data

  • TPSA   40.13
  • LogP   4.3022
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   12

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