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CS-W001157 4
Total: USD 88.00

(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)boronic acid

  • CAS No. 344591-91-9

  • Cat. No. CS-W006545
  • Purity≥97%
  • MDL No.MFCD08701785

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

(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)boronic acid|CS-W006545

Structure of 344591-91-9

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General Information

  • CAS No. 344591-91-9
  • Cat. No. CS-W006545
  • Purity ≥97%
  • MDL No. MFCD08701785
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆BF₃N₂O₂
  • Molecular Weight 193.92
  • Synonym(s) 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid
  • SMILES CN1N=C(C=C1B(O)O)C(F)(F)F

Description

This boronate moiety integrates a methylated pyrazole core with a trifluoromethyl group, delivering enhanced stability and electron-deficient character. The pendant boronic acid enables efficient Suzuki-Miyaura coupling under standard conditions, facilitating rapid access to functionalized heterocycles in medicinal chemistry and materials synthesis.

Application

(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient access to functionalized pyrazole-based scaffolds. Its stability under ambient conditions and compatibility with diverse reaction partners facilitate reliable C–C bond formation, making it well-suited for medicinal chemistry and materials synthesis applications.

Synthesis

  • Route1

    References

    • WO2005/12254 A1, ; Page/Page column 135-136 ; WO 2005/012254 A1
  • Route2
    • null|null
      121-43-7
    • In-stock
      1-Methyl-3-(trifluoromethyl)-1H-pyrazole|CS-W010973
      154471-65-5
    • ~64%
    • In-stock
      (1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)boronic acid|CS-W006545
      344591-91-9

    References

    • WO2012/7868 A2, ; Page/Page column 75 ;
  • Route3

    References

    • WO2009/43883 A1, ; Page/Page column 46-47 ; WO 2009/043883 A1

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

Quality Control

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Computational Chemistry Data

  • TPSA   58.28
  • LogP   -0.8813
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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