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

  • CAS No. 474709-28-9

  • Cat. No. CS-0081148
  • Purity≥97%
  • MDL No.MFCD05863920

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

4,4,5,5-Tetramethyl-2-(4-(trifluoromethoxy)phenyl)-1,3,2-dioxaborolane|CS-0081148

Structure of 474709-28-9

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General Information

  • CAS No. 474709-28-9
  • Cat. No. CS-0081148
  • Purity ≥97%
  • MDL No. MFCD05863920
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆BF₃O₃
  • Molecular Weight 288.07
  • Synonym(s) 4,4,5,5-Tetramethyl-2-(4-Trifluoromethoxyphenyl)-1,3,2-Dioxaborolane
  • SMILES FC(F)(F)OC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1

Description

This boronate ester features a trifluoromethoxy-substituted aryl group and a tetramethylcyclopentadienone core, delivering enhanced stability and reactivity in Suzuki-Miyaura coupling reactions. The electron-deficient aryl moiety enables efficient cross-coupling under standard conditions, while the sterically protected boronate minimizes protodeboronation. Ideal for constructing biaryl scaffolds in medicinal chemistry and materials science.

Synthesis

  • Route1

    References

    • Tetrahedron Letters, , vol. 54, # 2 p. 166 - 169

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

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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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