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CS-W001157 4
Total: USD 88.00

(4-Cyano-3,5-difluorophenyl)boronic acid

  • CAS No. 861710-03-4

  • Cat. No. CS-0157710
  • Purity≥97%
  • MDL No.None

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

(4-Cyano-3,5-difluorophenyl)boronic acid|CS-0157710

Structure of 861710-03-4

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General Information

  • CAS No. 861710-03-4
  • Cat. No. CS-0157710
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BF₂NO₂
  • Molecular Weight 182.92
  • Synonym(s) 4-Cyano-3,5-difluorophenylboronic acid
  • SMILES C1=C(C=C(C(=C1F)C#N)F)B(O)O

Description

This boronate moiety enables direct coupling in Suzuki-Miyaura reactions under standard conditions, featuring enhanced stability and moisture tolerance. The electron-deficient aryl group facilitates efficient transmetalation, while the cyano and difluoro substituents provide orthogonal reactivity for downstream functionalization.

Application

(4-Cyano-3,5-difluorophenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl scaffolds. The cyano and difluoro substituents provide enhanced metabolic stability and favorable electronic properties for medicinal chemistry applications. Its bench-stable nature and compatibility with diverse reaction conditions facilitate straightforward purification and scalable synthesis.

Safety Information

Download SDS
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   64.25
  • LogP   -0.48372
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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