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CS-W001157 4
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2-(3-(Difluoromethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

  • CAS No. 1698908-91-6

  • Cat. No. CS-0614698
  • Purity≥97%
  • MDL No.None

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

2-(3-(Difluoromethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|CS-0614698

Structure of 1698908-91-6

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General Information

  • CAS No. 1698908-91-6
  • Cat. No. CS-0614698
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆BF₃O₂
  • Molecular Weight 272.07
  • Synonym(s) None
  • SMILES CC1(C)C(C)(C)OB(C2=CC=CC(C(F)F)=C2F)O1

Description

This boronate ester features a difluoromethyl-substituted aryl group, enhancing electron deficiency and metabolic stability. The tetramethyl-dioxaborolane moiety enables robust coupling in Suzuki-Miyaura reactions under standard conditions. Bench-stable and moisture-tolerant, it streamlines the synthesis of complex fluorinated biaryl scaffolds in medicinal chemistry workflows.

Application

This boronate ester serves as a robust coupling partner in palladium-catalyzed cross-coupling reactions, enabling efficient construction of biaryl scaffolds. The difluoromethyl and ortho-fluoro substituents enhance metabolic stability and modulate electronic properties, while the tetramethyl-substituted dioxaborolane ring ensures excellent bench stability and compatibility with diverse reaction conditions. Ideal for medicinal chemistry applications requiring fluorinated aromatic motifs.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

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Computational Chemistry Data

  • TPSA   18.46
  • LogP   3.0625
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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