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CS-W001157 4
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Benzofuran-7-carboxylic acid

  • CAS No. 90484-22-3

  • Cat. No. CS-0043878
  • Molecule weight162.14
  • Purity≥97%
  • MDL No.MFCD10000617

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

Benzofuran-7-carboxylic acid|CS-0043878

Structure of 90484-22-3

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General Information

  • CAS No. 90484-22-3
  • Cat. No. CS-0043878
  • Purity ≥97%
  • MDL No. MFCD10000617
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆O₃
  • Molecular Weight 162.14
  • Synonym(s) 7-benzofurancarboxylic acid
  • SMILES OC(=O)C1=CC=CC2=C1OC=C2

Description

Benzofuran-7-carboxylic acid features a fused bicyclic core with a carboxylic acid group at the 7-position, enabling direct functionalization in synthetic transformations. This electron-deficient heterocycle serves as a key scaffold for pharmaceutical intermediates and bioactive molecule synthesis under standard conditions.

Application

Benzofuran-7-carboxylic acid serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling efficient access to bioactive heterocyclic scaffolds. Its carboxylic acid functionality facilitates direct derivatization via amide bond formation, esterification, or decarboxylative coupling protocols. The benzofuran core exhibits favorable bench stability and functional group tolerance, supporting diverse transformations in multi-step synthesis.

Synthesis

  • Route1
    • Methyl benzofuran-7-carboxylate|CS-0468256
      99517-45-0
    • ~91%
    • In-stock
      Benzofuran-7-carboxylic acid|CS-0043878
      90484-22-3

    References

    • Eissenstat, Michael A.; Bell, Malcolm R.; D'Ambra, Thomas E.; Alexander, E. John; Daum, Sol J.; et al. Journal of Medicinal Chemistry, 1995 , vol. 38, # 16 p. 3094 - 3105
  • 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 2-(allyloxy)benzoate|CS-0967784
      6282-42-4
    • ~%
    • In-stock
      Benzofuran-7-carboxylic acid|CS-0043878
      90484-22-3

    References

    • Journal of Medicinal Chemistry, , vol. 38, # 16 p. 3094 - 3105

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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