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CS-W001157 4
Total: USD 88.00

Benzofuran-2-carboxylic acid

  • CAS No. 496-41-3

  • Cat. No. CS-W004676
  • Purity≥98%
  • MDL No.MFCD00005848

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

Benzofuran-2-carboxylic acid|CS-W004676

Structure of 496-41-3

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General Information

  • CAS No. 496-41-3
  • Cat. No. CS-W004676
  • Purity ≥98%
  • MDL No. MFCD00005848
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆O₃
  • Molecular Weight 162.14
  • Synonym(s) Coumarone-2-carboxylic Acid
  • SMILES C1=C(C(O)=O)OC2=C1C=CC=C2

Description

Benzofuran-2-carboxylic acid was used in the synthesis of the oxymethyl-modified coumarinic acid-based cyclic DADLE (H-Tyr-D-Ala-Gly-Phe-D-Leu-OH) prodrug.

Synthesis

  • Route1
    • null|null
      271-89-6
    • null|null
      124-38-9
    • ~85%
    • In-stock
      Benzofuran-2-carboxylic acid|CS-W004676
      496-41-3

    References

    • Gissot, Arnaud; Becht, Jean-Michel; Desmurs, Jean Roger; Pevere, Virginie; Wagner, Alain; Mioskowski, Charles Angewandte Chemie - International Edition, 2002 , vol. 41, # 2 p. 340 - 343
  • Route2
    • In-stock
      2-Bromobenzofuran|CS-W006236
      54008-77-4
    • null|null
      2258-42-6
    • ~84%
    • In-stock
      Benzofuran-2-carboxylic acid|CS-W004676
      496-41-3

    References

    • Gadakh, Amol V.; Chikanna, Dinesh; Rindhe, Sahebrao S.; Karale, Bhausaheb K. Synthetic Communications, 2012 , vol. 42, # 5 p. 658 - 666
  • Route3

    References

    • Gilman; Melstrom Journal of the American Chemical Society, 1948 , vol. 70, p. 1655

Safety Information

Download SDS
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

Quality Control

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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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