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CS-W001157 4
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5-Bromo-1-benzofuran-3-carboxylic acid

  • CAS No. 461663-79-6

  • Cat. No. CS-0308649
  • Purity≥97%
  • MDL No.None

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

5-Bromo-1-benzofuran-3-carboxylic acid|CS-0308649

Structure of 461663-79-6

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General Information

  • CAS No. 461663-79-6
  • Cat. No. CS-0308649
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅BrO₃
  • Molecular Weight 241.04
  • Synonym(s) 5-Bromobenzofuran-3-carboxylic acid
  • SMILES C1=CC2=C(C=C1Br)C(=CO2)C(=O)O

Description

5-Bromo-1-benzofuran-3-carboxylic acid integrates a bromine substituent at the 5-position of the benzofuran core, delivering enhanced reactivity for cross-coupling transformations. The carboxylic acid group enables direct derivatization or salt formation, while the planar heterocyclic framework ensures compatibility with transition metal catalysis. This scaffold combines synthetic versatility with structural rigidity, supporting applications in medicinal chemistry and materials science.

Application

5-Bromo-1-benzofuran-3-carboxylic acid serves as a versatile building block for the synthesis of functionalized benzofuran scaffolds. The bromo group enables palladium-catalyzed cross-coupling reactions, while the carboxylic acid facilitates derivatization via amide formation or esterification. Its stability under standard bench conditions and compatibility with diverse reaction conditions make it well-suited for medicinal chemistry and materials applications.

Safety Information

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Computational Chemistry Data

  • TPSA   50.44
  • LogP   2.8935
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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