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CS-W001157 4
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2-Methylfuran-3-carboxylic acid

  • CAS No. 6947-94-0

  • Cat. No. CS-0095991
  • Purity≥98%
  • MDL No.MFCD00092314

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

2-Methylfuran-3-carboxylic acid|CS-0095991

Structure of 6947-94-0

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General Information

  • CAS No. 6947-94-0
  • Cat. No. CS-0095991
  • Purity ≥98%
  • MDL No. MFCD00092314
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆O₃
  • Molecular Weight 126.11
  • Synonym(s) IFLAB-BB F1901-0076
  • SMILES O=C(C1=C(C)OC=C1)O

Description

2-Methylfuran-3-carboxylic acid features a furan ring with strategically positioned methyl and carboxylic acid groups, enabling integration into bioactive scaffolds. This electron-rich heterocycle offers enhanced solubility and stability under standard conditions, facilitating use in medicinal chemistry and materials synthesis workflows.

Application

2-Methylfuran-3-carboxylic acid serves as a versatile heterocyclic building block in medicinal chemistry and agrochemical synthesis. Its carboxylic acid functionality enables direct derivatization via amide, ester, or acyl chloride formation, while the furan ring provides stability and favorable electronic properties. The methyl substituent enhances lipophilicity and can participate in directed functionalization. This compound exhibits bench stability, ease of purification, and compatibility with standard coupling protocols, facilitating integration into complex molecular architectures.

Synthesis

  • Route1

    References

    • Trahanovsky, Walter S.; Huang, Yih-chuan Jason; Leung, Man-kit Journal of Organic Chemistry, 1994 , vol. 59, # 9 p. 2594 - 2598
  • Route2
    • null|null
      17276-95-8
    • ~%
    • In-stock
      2-Methylfuran-3-carboxylic acid|CS-0095991
      6947-94-0

    References

    • Chemische Berichte, , vol. 72, p. 1993,1998 Journal of the American Chemical Society, , vol. 56, p. 220 Anales de la Real Sociedad Espanola de Fisica y Quimica, , vol. <B> 32, p. 815,829
  • Route3
    • Ethyl 5-methylfuran-2-carboxylate|CS-0215605
      14003-12-4
    • ~%
    • In-stock
      2-Methylfuran-3-carboxylic acid|CS-0095991
      6947-94-0

    References

    • Journal of the American Chemical Society, , vol. 56, p. 220

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P280-P301+P330+P331-P304+P340

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Computational Chemistry Data

  • TPSA   50.44
  • LogP   1.28622
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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