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CS-W001157 4
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(3-(Trifluoromethyl)-1H-pyrazol-4-yl)boronic acid

  • CAS No. 1202054-12-3

  • Cat. No. CS-0080401
  • Purity≥95%
  • MDL No.MFCD07375369

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

(3-(Trifluoromethyl)-1H-pyrazol-4-yl)boronic acid|CS-0080401

Structure of 1202054-12-3

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General Information

  • CAS No. 1202054-12-3
  • Cat. No. CS-0080401
  • Purity ≥95%
  • MDL No. MFCD07375369
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₄BF₃N₂O₂
  • Molecular Weight 179.89
  • Synonym(s) 5-Trifluoromethyl-1h-pyrazol-4-ylboronic acid
  • SMILES FC(F)(F)C1=NNC=C1B(O)O

Description

This trifluoromethyl-substituted pyrazole boronic acid integrates a robust, electron-deficient heterocyclic scaffold with a reactive boronate handle. The para-trifluoromethyl group enhances metabolic stability and modulates electronic properties, enabling efficient Suzuki-Miyaura coupling under standard conditions. Designed for streamlined access to bioactive arylated heterocycles in medicinal chemistry and materials science applications.

Application

(3-(Trifluoromethyl)-1H-pyrazol-4-yl)boronic acid serves as a versatile building block in Suzuki-Miyaura coupling reactions, enabling efficient C–C bond formation under mild conditions. Its trifluoromethyl group imparts enhanced metabolic stability and lipophilicity, making it valuable for constructing bioactive heterocycles. The boronic acid functionality offers excellent bench stability, straightforward purification, and broad functional group tolerance, facilitating its use in medicinal chemistry and process-scale synthesis.

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   69.14
  • LogP   -0.8917
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   1

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