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

  • CAS No. 1310405-06-1

  • Cat. No. CS-0051755
  • Purity≥97%
  • MDL No.None

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

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridine|CS-0051755

Structure of 1310405-06-1

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General Information

  • CAS No. 1310405-06-1
  • Cat. No. CS-0051755
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅BF₃NO₂
  • Molecular Weight 273.06
  • Synonym(s) 4-(Trifluoromethyl)pyridine-3-boronic acid pinacol ester
  • SMILES CC1(C)OB(OC1(C)C)C1=C(C=CN=C1)C(F)(F)F

Description

This boronate-functionalized pyridine integrates readily into Suzuki-Miyaura cross-coupling reactions under standard conditions. The trifluoromethyl group enhances electron deficiency and metabolic stability, while the tetramethylcyclopentadienone boronate moiety ensures high reactivity and bench-stable handling.

Application

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridine serves as a versatile boronate building block in Suzuki-Miyaura cross-coupling reactions. The tetramethylborolane moiety provides excellent stability and compatibility with diverse reaction conditions, while the trifluoromethylpyridine core enables efficient coupling to aryl and heteroaryl partners. Its bench-stable nature and high functional group tolerance make it ideal for constructing complex pharmaceutical scaffolds and advanced materials.

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   31.35
  • LogP   2.3996
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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