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CS-W001157 4
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(5-Fluoro-2-(methoxycarbonyl)phenyl)boronic acid

  • CAS No. 850568-05-7

  • Cat. No. CS-0063886
  • Purity≥98%
  • MDL No.MFCD03095367

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

(5-Fluoro-2-(methoxycarbonyl)phenyl)boronic acid|CS-0063886

Structure of 850568-05-7

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General Information

  • CAS No. 850568-05-7
  • Cat. No. CS-0063886
  • Purity ≥98%
  • MDL No. MFCD03095367
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BFO₄
  • Molecular Weight 197.96
  • Synonym(s) benzoic acid, 2-borono-4-fluoro-, methyl ester
  • SMILES FC1=CC(B(O)O)=C(C(OC)=O)C=C1

Description

This boronate moiety features a strategically positioned fluorine atom and methoxycarbonyl group, enabling enhanced stability and selective coupling in Suzuki-Miyaura reactions. The electron-deficient aryl ring facilitates efficient palladium-catalyzed transformations under standard conditions.

Application

(5-Fluoro-2-(methoxycarbonyl)phenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura coupling reactions, enabling efficient C–C bond formation under mild conditions. The ortho-fluorine and methoxycarbonyl groups provide orthogonal reactivity and enhanced stability, facilitating downstream functionalization. Its bench-stable solid form simplifies handling and purification, making it well-suited for medicinal chemistry and process development workflows.

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   -0.7079
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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