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CS-W001157 4
Total: USD 88.00

Benzofuran-3-carboxylic acid

  • CAS No. 26537-68-8

  • Cat. No. CS-W006213
  • Purity≥95%
  • MDL No.MFCD01006722

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

Benzofuran-3-carboxylic acid|CS-W006213

Structure of 26537-68-8

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General Information

  • CAS No. 26537-68-8
  • Cat. No. CS-W006213
  • Purity ≥95%
  • MDL No. MFCD01006722
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆O₃
  • Molecular Weight 162.14
  • Synonym(s) 1-Benzofuran-3-carboxylic acid
  • SMILES O=C(C1=COC2=CC=CC=C12)O

Description

Benzofuran-3-carboxylic acid serves as a key heterocyclic scaffold in medicinal chemistry, offering a rigid, planar structure with enhanced solubility and metabolic stability. This carboxylic acid moiety enables direct coupling reactions and facilitates conjugation to biomolecules, making it valuable for drug discovery and probe development.

Application

Benzofuran-3-carboxylic acid serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its carboxylic acid functionality enables direct derivatization via amide, ester, or acyl chloride formation, while the benzofuran core provides structural rigidity and favorable pharmacophoric properties. The compound exhibits good bench stability and facilitates efficient purification, supporting its use in iterative synthetic sequences and scale-up processes.

Synthesis

  • Route1
    • Benzofuran-2,3-dicarboxylic acid|CS-0337920
      131-76-0
    • ~83%
    • In-stock
      Benzofuran-3-carboxylic acid|CS-W006213
      26537-68-8

    References

    • Lu, Pengfel; Sanchez, Carolina; Cornella, Josep; Larrosa, Igor Organic Letters, 2009 , vol. 11, # 24 p. 5710 - 5713
  • Route2

    References

    • Benassi, Rois; Folli, Ugo; Iarossi, Dario; Schenetti, Luisa; Taddei, Ferdinando Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1984 , # 9 p. 1479 - 1486
  • Route3
    • Methyl benzofuran-3-carboxylate|CS-0290535
      4687-24-5
    • ~%
    • In-stock
      Benzofuran-3-carboxylic acid|CS-W006213
      26537-68-8

    References

    • GENENTECH, INC. Patent: WO2005/94818 A1, 2005 ; Location in patent: Page/Page column 42 ; WO 2005/094818 A1

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   50.44
  • LogP   2.131
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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