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CS-W001157 4
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4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole

  • CAS No. 1218790-40-9

  • Cat. No. CS-0042488
  • Purity≥97%
  • MDL No.MFCD11501039

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

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole|CS-0042488

Structure of 1218790-40-9

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General Information

  • CAS No. 1218790-40-9
  • Cat. No. CS-0042488
  • Purity ≥97%
  • MDL No. MFCD11501039
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄BF₃N₂O₂
  • Molecular Weight 262.04
  • Synonym(s) 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole
  • SMILES FC(C1=NNC=C1B2OC(C)(C)C(C)(C)O2)(F)F

Description

This boronate moiety integrates a trifluoromethylated pyrazole scaffold, enabling efficient cross-coupling under standard conditions. The tetramethyl-dioxaborolane group ensures high stability and compatibility with palladium-catalyzed reactions, delivering robust yields in Suzuki-Miyaura transformations.

Application

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole serves as a versatile boronate building block in palladium-catalyzed cross-coupling reactions. Its trifluoromethyl group enhances metabolic stability and modulates electronic properties, while the robust dioxaborolane moiety enables reliable coupling under mild conditions. The compound exhibits excellent bench stability, facile purification, and broad functional group tolerance, making it well-suited for constructing complex heterocyclic scaffolds in medicinal chemistry and materials science applications.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   47.14
  • LogP   1.7277
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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