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CS-W001157 4
Total: USD 88.00

(4-Fluoro-2-(methoxycarbonyl)phenyl)boronic acid

  • CAS No. 871329-81-6

  • Cat. No. CS-0112958
  • Molecule weight197.96
  • Purity≥96%
  • MDL No.MFCD07363762

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

(4-Fluoro-2-(methoxycarbonyl)phenyl)boronic acid|CS-0112958

Structure of 871329-81-6

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General Information

  • CAS No. 871329-81-6
  • Cat. No. CS-0112958
  • Purity ≥96%
  • MDL No. MFCD07363762
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BFO₄
  • Molecular Weight 197.96
  • Synonym(s) 4-Fluoro-2-methoxycarbonylphenylboronic acid
  • SMILES OB(C1=CC=C(F)C=C1C(OC)=O)O

Description

This boronic acid features a fluorinated aryl ring paired with a methoxycarbonyl group, enabling selective coupling in Suzuki-Miyaura reactions. The electron-withdrawing fluorine enhances reactivity while the ester moiety provides tunable stability and compatibility with diverse reaction conditions.

Application

(4-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-methoxycarbonyl group enhances solubility and facilitates downstream derivatization, while the fluorine substituent supports directed metallation and functional group interconversions. Its bench-stable nature and compatibility with diverse reaction partners make it a practical choice for constructing complex aryl scaffolds in medicinal chemistry and materials synthesis.

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 : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-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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