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CS-W001157 4
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5-Methylbenzofuran-2-carboxylic acid

  • CAS No. 10242-09-8

  • Cat. No. CS-0062601
  • Purity≥97%
  • MDL No.None

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

5-Methylbenzofuran-2-carboxylic acid|CS-0062601

Structure of 10242-09-8

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General Information

  • CAS No. 10242-09-8
  • Cat. No. CS-0062601
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈O₃
  • Molecular Weight 176.17
  • Synonym(s) 5-METHYL-BENZOFURAN-2-CARBOXYLIC ACID
  • SMILES O=C(C1=CC2=CC(C)=CC=C2O1)O

Description

5-Methylbenzofuran-2-carboxylic acid is a heteroaromatic carboxylic acid featuring a methyl-substituted benzofuran core. This scaffold delivers enhanced lipophilicity and metabolic stability, making it valuable for medicinal chemistry applications. The carboxylic acid group enables direct coupling reactions or salt formation, streamlining downstream derivatization in drug discovery workflows.

Application

5-Methylbenzofuran-2-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical scaffolds. Its carboxylic acid functionality facilitates direct coupling reactions, while the methyl-substituted benzofuran core offers enhanced metabolic stability and favorable pharmacokinetic properties. The compound exhibits good bench stability and is amenable to standard functional group transformations, making it well-suited for iterative synthesis campaigns and API development.

Synthesis

  • Route1

    References

    • Suzuki; Horaguchi; Shimizu; Abe Bulletin of the Chemical Society of Japan, 1983 , vol. 56, # 9 p. 2762 - 2767
  • Route2
    • null|null
      1204351-35-8
    • ~95%
    • In-stock
      5-Methylbenzofuran-2-carboxylic acid|CS-0062601
      10242-09-8

    References

    • Lee, Jaekyoo; Khanapure, Subhash P.; Kim, Hwa-Ok; Rajur, Raj S. B.; Li, Bing; Williams, John D.; Pai, Ramdas; Peet, Norton P. Synthetic Communications, 2010 , vol. 40, # 22 p. 3390 - 3396
  • Route3

    References

    • Suzuki; Horaguchi; Shimizu; Abe Bulletin of the Chemical Society of Japan, 1983 , vol. 56, # 9 p. 2762 - 2767

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 : P260-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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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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