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CS-W001157 4
Total: USD 88.00

(4-[3-(Trifluoromethyl)phenoxy]phenyl)boranediol

  • CAS No. 958457-42-6

  • Cat. No. CS-0178572
  • Purity≥97%
  • MDL No.None

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

(4-[3-(Trifluoromethyl)phenoxy]phenyl)boranediol|CS-0178572

Structure of 958457-42-6

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General Information

  • CAS No. 958457-42-6
  • Cat. No. CS-0178572
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₀BF₃O₃
  • Molecular Weight 282.02
  • Synonym(s) {4-[3-(Trifluoromethyl)phenoxy]phenyl}boronic acid
  • SMILES OB(C1=CC=C(OC2=CC=CC(C(F)(F)F)=C2)C=C1)O

Description

This boronate moiety integrates a trifluoromethyl-substituted phenoxy group with a phenylborane core, enabling robust coupling in Suzuki-Miyaura reactions. The electron-deficient aryl system enhances stability and reactivity under standard conditions, while the diol functionality facilitates selective transformations.

Application

(4-[3-(Trifluoromethyl)phenoxy]phenyl)boranediol serves as a stable, bench-ready boron building block for Suzuki-Miyaura cross-coupling reactions. Its ortho-substituted aryl ether structure provides enhanced solubility and functional group tolerance, enabling efficient C–C bond formation under mild conditions. The diol moiety ensures excellent stability and ease of purification, making it ideal for constructing complex biaryl scaffolds in medicinal chemistry and materials synthesis.

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-P362-P405-P501

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Computational Chemistry Data

  • TPSA   49.69
  • LogP   2.1775
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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