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(5-(Trifluoromethyl)-1H-pyrazol-3-yl)boronic acid

  • CAS No. 1346270-08-3

  • Cat. No. CS-0080480
  • Purity≥95%
  • MDL No.None

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

(5-(Trifluoromethyl)-1H-pyrazol-3-yl)boronic acid|CS-0080480

Structure of 1346270-08-3

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General Information

  • CAS No. 1346270-08-3
  • Cat. No. CS-0080480
  • Purity ≥95%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₄BF₃N₂O₂
  • Molecular Weight 179.89
  • Synonym(s) 5-Trifluoromethyl-1H-pyrazole-3-boronic acid
  • SMILES FC(F)(F)C1=CC(B(O)O)=NN1

Description

This boronate moiety integrates a trifluoromethyl-substituted pyrazole ring, delivering enhanced electron-withdrawing character and improved stability under standard conditions. The functional group enables efficient Suzuki-Miyaura coupling reactions, facilitating the construction of complex heteroaryl architectures in medicinal chemistry and materials science applications.

Application

(5-(Trifluoromethyl)-1H-pyrazol-3-yl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl scaffolds. Its trifluoromethyl group imparts enhanced metabolic stability and lipophilicity, making it valuable for medicinal chemistry applications. The boronic acid functionality offers excellent bench stability, predictable reactivity, and compatibility with diverse functional groups, facilitating straightforward purification and integration into complex molecular architectures.

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-P330-P362+P364-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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