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Boronic acid, B-[4-(difluoromethoxy)phenyl]-

  • CAS No. 688810-12-0

  • Cat. No. CS-0029539
  • Purity≥98%
  • MDL No.MFCD09864667

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

Boronic acid, B-[4-(difluoromethoxy)phenyl]-|CS-0029539

Structure of 688810-12-0

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General Information

  • CAS No. 688810-12-0
  • Cat. No. CS-0029539
  • Purity ≥98%
  • MDL No. MFCD09864667
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇BF₂O₃
  • Molecular Weight 187.94
  • Synonym(s) boronic acid, B-[4-(difluoromethoxy)phenyl]-
  • SMILES FC(F)OC1=CC=C(B(O)O)C=C1

Description

This boronic acid features a difluoromethoxy-substituted aryl group, enhancing electronic modulation and metabolic stability. It integrates readily into Suzuki-Miyaura cross-coupling reactions under standard conditions, delivering high yields with minimal decomposition. The electron-deficient phenyl moiety facilitates efficient coupling, while the bench-stable solid offers reliable handling in synthetic workflows.

Application

(4-(Difluoromethoxy)phenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura coupling reactions, enabling efficient construction of biaryl scaffolds under mild conditions. The difluoromethoxy group imparts enhanced metabolic stability and modulates electronic properties, making this arylboronic acid valuable for medicinal chemistry applications. It exhibits good bench stability, ease of handling, and compatibility with diverse functional groups, facilitating straightforward purification and integration into complex molecular architectures.

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   49.69
  • LogP   -0.0322
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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