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5-Cyano-2-Furancarboxylic acid

  • CAS No. 212197-74-5

  • Cat. No. CS-0030839
  • Purity≥98%
  • MDL No.MFCD11897503

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

5-Cyano-2-Furancarboxylic acid|CS-0030839

Structure of 212197-74-5

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General Information

  • CAS No. 212197-74-5
  • Cat. No. CS-0030839
  • Purity ≥98%
  • MDL No. MFCD11897503
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃NO₃
  • Molecular Weight 137.09
  • Synonym(s) 5-CYANOFURAN-2-CARBOXYLICACID
  • SMILES O=C(O)C1=CC=C(C#N)O1

Description

5-Cyano-2-furancarboxylic acid features a conjugated furan ring fused to electron-withdrawing cyano and carboxylic acid groups, enabling robust participation in heterocyclic synthesis. This polarized scaffold integrates readily into bioactive molecule frameworks, offering enhanced solubility and stability under standard reaction conditions.

Application

5-Cyano-2-furancarboxylic acid serves as a versatile building block in heterocyclic synthesis, enabling efficient access to functionalized furan derivatives via standard transformations. Its dual functionality—cyano and carboxylic acid groups—facilitates orthogonal reactivity, supporting coupling reactions, cyclizations, and derivatization under mild conditions. The compound exhibits good bench stability and is compatible with common purification methods, making it well-suited for use in medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • JANSSEN PHARMACEUTICA, N.V. Patent: WO2007/123516 A1, 2007 ; Location in patent: Page/Page column 34 ; WO 2007/123516 A1
  • Route2
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      54376-30-6
    • ~%
    • In-stock
      5-Cyano-2-Furancarboxylic acid|CS-0030839
      212197-74-5

    References

    • WO2006/47277 A2, ; Page/Page column 40-41 ; WO 2006/047277 A2
  • Route3
    • null|null
      19158-51-1
    • ~%
    • In-stock
      5-Cyano-2-Furancarboxylic acid|CS-0030839
      212197-74-5

    References

    • Angewandte Chemie - International Edition, , vol. 37, # 12 p. 1701 - 1703

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

Quality Control

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Computational Chemistry Data

  • TPSA   74.23
  • LogP   0.84948
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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