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

  • CAS No. 445303-65-1

  • Cat. No. CS-0106464
  • Purity≥95%
  • MDL No.MFCD18730118

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

2-(3-(Difluoromethyl)-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|CS-0106464

Structure of 445303-65-1

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General Information

  • CAS No. 445303-65-1
  • Cat. No. CS-0106464
  • Purity ≥95%
  • MDL No. MFCD18730118
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆BF₃O₂
  • Molecular Weight 272.07
  • Synonym(s) 2-[3-(Difluoromethyl)-4-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • SMILES CC1(C)C(C)(C)OB(C2=CC=C(F)C(C(F)F)=C2)O1

Description

This boronate ester features a difluoromethyl-substituted fluorophenyl group, delivering enhanced stability and compatibility in cross-coupling reactions. The tetramethyl-1,3,2-dioxaborolane scaffold ensures excellent shelf life and moisture tolerance under standard conditions.

Application

2-(3-(Difluoromethyl)-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane serves as a robust boronate building block for Suzuki-Miyaura cross-coupling reactions. Its stability under ambient conditions and tolerance to diverse functional groups enable efficient construction of complex aryl scaffolds. The difluoromethyl and fluorophenyl motifs provide enhanced metabolic stability and modulated electronic properties, making it valuable for medicinal chemistry and materials science applications.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
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+P364-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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