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2-Cyanopropanoic acid

  • CAS No. 632-07-5

  • Cat. No. CS-0139286
  • Purity≥95%
  • MDL No.None

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

2-Cyanopropanoic acid|CS-0139286

Structure of 632-07-5

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General Information

  • CAS No. 632-07-5
  • Cat. No. CS-0139286
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅NO₂
  • Molecular Weight 99.09
  • Synonym(s) Propanoic acid, 2-cyano-
  • SMILES CC(C#N)C(O)=O

Description

2-Cyanopropanoic acid features a strategically positioned nitrile group adjacent to a carboxylic acid, enabling direct conjugation in synthetic pathways. This bifunctional scaffold integrates readily into heterocyclic systems and serves as a key precursor for bioactive molecule construction under standard conditions.

Application

2-Cyanopropanoic acid serves as a versatile building block in synthetic organic chemistry, enabling efficient access to β-amino nitriles and substituted pyrrolidines via cyclization. Its conjugated nitrile and carboxylic acid functionalities offer orthogonal reactivity for selective transformations. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for use in medicinal chemistry campaigns and the synthesis of heterocyclic scaffolds.

Synthesis

  • Route1

    References

    • Goldup, Stephen M.; Leigh, David A.; Lusby, Paul J.; McBurney, Roy T.; Slawin, Alexandra M. Z. Angewandte Chemie - International Edition, 2008 , vol. 47, # 18 p. 3381 - 3384
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      2-Cyanopropanoic acid|CS-0139286
      632-07-5

    References

    • de Hoffmann; Barbier Bulletin des Societes Chimiques Belges, 1936 , vol. 45, p. 566 Full Text Show Details Wideqvist Arkiv foer Kemi, 19B Nr.9. <1945>4 Full Text Show Details Morgan; Walton Journal of the Chemical Society, vol. l933, p. 1065
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    • In-stock
      2-Cyanopropanoic acid|CS-0139286
      632-07-5

    References

    • Otero, M. Dolores; Batanero, Belen; Barba, Fructuoso Tetrahedron Letters, 2006 , vol. 47, # 13 p. 2171 - 2173

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 : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   61.09
  • LogP   0.23068
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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