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CS-W001157 4
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4,4,5,5-Tetramethyl-2-(2-(trifluoromethoxy)phenyl)-1,3,2-dioxaborolane

  • CAS No. 832114-04-2

  • Cat. No. CS-0081143
  • Purity≥95%
  • MDL No.MFCD05863918

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

4,4,5,5-Tetramethyl-2-(2-(trifluoromethoxy)phenyl)-1,3,2-dioxaborolane|CS-0081143

Structure of 832114-04-2

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General Information

  • CAS No. 832114-04-2
  • Cat. No. CS-0081143
  • Purity ≥95%
  • MDL No. MFCD05863918
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆BF₃O₃
  • Molecular Weight 288.07
  • Synonym(s) 5-TetraMethyl-2-(2-trifluoroMethoxyphenyl)-1
  • SMILES FC(F)(F)OC1=CC=CC=C1B2OC(C)(C)C(C)(C)O2

Description

This boronate ester features a trifluoromethoxy-substituted aryl group and a tetramethyl-dioxaborolane core, enabling stable coupling in Suzuki-Miyaura reactions. The electron-deficient phenyl ring enhances reactivity, while the steric bulk of the methyl groups improves shelf life and handling under standard conditions.

Application

4,4,5,5-Tetramethyl-2-(2-(trifluoromethoxy)phenyl)-1,3,2-dioxaborolane serves as a stable, bench-ready boronate building block for Suzuki-Miyaura cross-coupling reactions. Its trifluoromethoxy-substituted aryl group enables efficient C–C bond formation with diverse aryl halides and pseudohalides under standard catalytic conditions. The tetramethyl substituents enhance stability and solubility, while the dioxaborolane ring facilitates mild activation and high functional group tolerance, making it ideal for constructing complex heterocyclic and pharmaceutical scaffolds in iterative synthesis 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 : 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   27.69
  • LogP   2.8844
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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