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CS-W001157 4
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3-Methyl-2-benzofurancarboxylic acid

  • CAS No. 24673-56-1

  • Cat. No. CS-0021446
  • Purity≥98%
  • MDL No.MFCD00060511

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

3-Methyl-2-benzofurancarboxylic acid|CS-0021446

Structure of 24673-56-1

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General Information

  • CAS No. 24673-56-1
  • Cat. No. CS-0021446
  • Purity ≥98%
  • MDL No. MFCD00060511
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈O₃
  • Molecular Weight 176.17
  • Synonym(s) 3-Methyl-1-benzofuran-2-carboxylic acid; 3-Methyl-2,3-benzofuran-2-carboxylic acid; 3-Methyl-benzofuran-2-carboxylic acid
  • SMILES O=C(C1=C(C)C2=CC=CC=C2O1)O

Description

3-Methyl-2-benzofurancarboxylic acid features a fused bicyclic core with a methyl group at the 3-position and a carboxylic acid at the 2-position, offering enhanced stability and solubility in polar solvents. This structural motif enables direct incorporation into pharmaceutical intermediates and functional materials without requiring derivatization.

Application

3-Methyl-2-benzofurancarboxylic acid serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its carboxylic acid functionality enables direct derivatization via esterification, amide coupling, or decarboxylative transformations. The methyl-substituted benzofuran scaffold exhibits good bench stability and facilitates orthogonal functionalization, making it well-suited for medicinal chemistry campaigns requiring rigid, planar scaffolds with moderate lipophilicity.

Synthesis

  • Route1

    References

    • Bedford, Simon B.; Begley, Michael J.; Cornwall, Philip; Foreman, Joel P.; Knight, David W. Journal of the Chemical Society - Perkin Transactions 1, 1996 , # 23 p. 2827 - 2832
  • Route2
    • 2-(2-Acetylphenoxy)acetic acid|CS-0200044
      1878-62-2
    • ~1%
    • In-stock
      3-Methylbenzofuran|CS-0006837
      21535-97-7
    • In-stock
      3-Methyl-2-benzofurancarboxylic acid|CS-0021446
      24673-56-1

    References

    • Bulletin of the Chemical Society of Japan, , vol. 56, # 9 p. 2762 - 2767
  • Route3
    • null|null
      124-38-9
    • null|null
      167558-60-3
    • ~70%
    • In-stock
      3-Methyl-2-benzofurancarboxylic acid|CS-0021446
      24673-56-1

    References

    • Topolski, Marek Journal of Organic Chemistry, 1995 , vol. 60, # 17 p. 5588 - 5594

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
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

  • TPSA   50.44
  • LogP   2.43942
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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