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CS-W001157 4
Total: USD 88.00

(2,4-Difluoro-3-(methoxycarbonyl)phenyl)boronic acid

  • CAS No. 1190989-12-8

  • Cat. No. CS-0176096
  • Purity≥98%
  • MDL No.None

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

(2,4-Difluoro-3-(methoxycarbonyl)phenyl)boronic acid|CS-0176096

Structure of 1190989-12-8

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General Information

  • CAS No. 1190989-12-8
  • Cat. No. CS-0176096
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇BF₂O₄
  • Molecular Weight 215.95
  • Synonym(s) Methyl 3-borono-2,6-difluorobenzoate
  • SMILES COC(C1=C(F)C=CC(B(O)O)=C1F)=O

Description

This boronic acid features a methoxycarbonyl group flanked by fluorine substituents, enhancing electronic modulation and stability. The ortho-fluorines facilitate oxidative stability and improve coupling efficiency in Suzuki-Miyaura reactions. This bench-stable reagent integrates readily into complex molecular architectures, enabling precise C–C bond formation under mild conditions.

Application

(2,4-Difluoro-3-(methoxycarbonyl)phenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl scaffolds with enhanced metabolic stability. Its fluorinated aryl core and ester-functionalized side chain provide excellent bench stability, predictable reactivity, and compatibility with diverse reaction conditions. The molecule facilitates the synthesis of complex heterocycles and pharmaceutically relevant frameworks, offering high functional group tolerance and straightforward purification via standard chromatographic methods.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   66.76
  • LogP   -0.5688
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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