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CS-W001157 4
Total: USD 88.00

3-Butynoic acid

  • CAS No. 2345-51-9

  • Cat. No. CS-W004784
  • Purity≥95%
  • MDL No.MFCD02258494

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

3-Butynoic acid|CS-W004784

Structure of 2345-51-9

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General Information

  • CAS No. 2345-51-9
  • Cat. No. CS-W004784
  • Purity ≥95%
  • MDL No. MFCD02258494
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₄O₂
  • Molecular Weight 84.07
  • Synonym(s) None
  • SMILES C#CCC(O)=O

Application

3-Butynoic acid serves as a versatile building block in synthetic organic chemistry, enabling efficient access to conjugated enynes and heterocyclic scaffolds via palladium-catalyzed coupling reactions. Its terminal alkyne functionality facilitates reliable Sonogashira couplings, while the carboxylic acid group supports straightforward derivatization and purification. The compound exhibits good bench stability and functional group tolerance, making it well-suited for iterative synthesis workflows in medicinal chemistry and materials science applications.

Synthesis

  • Route1

    References

    • De Vondervoort, Lizette Schmieder-Van; Bouttemy, Sabine; Padron, Jose M.; Le Bras, Jean; Muzart, Jacques; Alsters, Paul L. Synlett, 2002 , # 2 p. 243 - 246
  • Route2
    • null|null
      124-38-9
    • null|null
      106-96-7
    • ~52%
    • In-stock
      3-Butynoic acid|CS-W004784
      2345-51-9

    References

    • Romanov-Michailidis, Fedor; Guenee, Laure; Alexakis, Alexandre Angewandte Chemie - International Edition, 2013 , vol. 52, # 35 p. 9266 - 9270 Angew. Chem., 2013 , vol. 125, # 35 p. 9436 - 9440
  • Route3
    • null|null
      106-96-7
    • ~%
    • In-stock
      3-Butynoic acid|CS-W004784
      2345-51-9

    References

    • Journal of the American Chemical Society, , vol. 73, p. 5503 Annales de Chimie (Cachan, France), , vol. <13>1, p. 161,184,186

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 2923
Class : 8 (6.1)
Packing Group : Ⅱ
Hazard Statements : H301+H311-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P302+P352-P304+P340-P330-P361+P364-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   0.0943
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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