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CS-W001157 4
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2-[3-(Difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

  • CAS No. 1035690-56-2

  • Cat. No. CS-0061100
  • Purity≥97%
  • MDL No.None

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

2-[3-(Difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|CS-0061100

Structure of 1035690-56-2

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General Information

  • CAS No. 1035690-56-2
  • Cat. No. CS-0061100
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₇BF₂O₃
  • Molecular Weight 270.08
  • Synonym(s) 2-(3-(Difluoromethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • SMILES CC1(C)C(C)(C)OB(C2=CC(=CC=C2)OC(F)F)O1

Description

This boronate ester features a difluoromethoxy-substituted phenyl group, enabling efficient cross-coupling in palladium-catalyzed reactions. The tetramethyl-1,3,2-dioxaborolane scaffold imparts excellent stability and solubility under standard conditions, facilitating reliable incorporation into complex molecular architectures.

Application

2-[3-(Difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane serves as a stable, bench-ready boronate building block for Suzuki-Miyaura cross-coupling reactions. Its difluoromethoxy-substituted aryl group enables efficient C–C bond formation with diverse halides and pseudohalides, offering enhanced electronic modulation and metabolic stability in target scaffolds. The tetramethyl-substituted dioxaborolane core ensures excellent shelf life, minimal protodeboronation, and straightforward purification, making it ideal for high-throughput synthesis and medicinal chemistry campaigns.

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-P271-P280-P302+P352-P304+P340-P362-P405-P501

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Computational Chemistry Data

  • TPSA   27.69
  • LogP   2.5872
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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