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

  • CAS No. 1046831-98-4

  • Cat. No. CS-0043240
  • Purity≥98%
  • MDL No.MFCD18383267

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

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)-1H-pyrazole|CS-0043240

Structure of 1046831-98-4

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General Information

  • CAS No. 1046831-98-4
  • Cat. No. CS-0043240
  • Purity ≥98%
  • MDL No. MFCD18383267
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄BF₃N₂O₂
  • Molecular Weight 262.04
  • Synonym(s) 1-Trifluoromethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
  • SMILES FC(N1N=CC(B2OC(C)(C)C(C)(C)O2)=C1)(F)F

Description

This boronate-functionalized pyrazole integrates readily into Suzuki-Miyaura coupling reactions under standard conditions, delivering trifluoromethyl-substituted biaryls with high efficiency. The tetramethylborolane moiety ensures excellent stability and ease of handling, while the electron-deficient pyrazole core enhances reactivity in cross-coupling protocols.

Application

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)-1H-pyrazole serves as a robust boronate building block for Suzuki-Miyaura cross-coupling reactions. The trifluoromethyl group imparts enhanced metabolic stability and lipophilicity, while the tetramethylboronate moiety ensures excellent bench stability, high functional group tolerance, and ease of purification. It enables efficient late-stage diversification in medicinal chemistry and process development workflows.

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

Quality Control

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Computational Chemistry Data

  • TPSA   36.28
  • LogP   1.6586
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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