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Sodium 2-cyanoacetate

  • CAS No. 1071-36-9

  • Cat. No. CS-0187634
  • Molecule weight107.04
  • Purity≥97%
  • MDL No.MFCD00067028

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

Sodium 2-cyanoacetate|CS-0187634

Structure of 1071-36-9

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General Information

  • CAS No. 1071-36-9
  • Cat. No. CS-0187634
  • Purity ≥97%
  • MDL No. MFCD00067028
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₂NNaO₂
  • Molecular Weight 107.04
  • Synonym(s) Sodium cyanoacetate
  • SMILES O=C(CC#N)O[Na]

Description

Sodium 2-cyanoacetate serves as a key building block in synthetic organic chemistry, offering a reactive cyano-acetate moiety that integrates readily into carbon–carbon bond formations. This bench-stable salt features enhanced solubility in polar solvents and functions efficiently in nucleophilic additions, enabling streamlined access to β-cyano carbonyl compounds under standard conditions.

Application

Sodium 2-cyanoacetate serves as a reliable building block in heterocyclic synthesis, enabling efficient access to pyrrolidine and imidazole derivatives via [3+2] cycloadditions and nucleophilic substitution reactions. Its stable anionic form facilitates functional group tolerance and simplifies purification, making it well-suited for scalable benchtop applications in medicinal chemistry and process development.

Synthesis

  • Route1
    • null|null
      372-09-8
    • ~97%
    • In-stock
      Sodium 2-cyanoacetate|CS-0187634
      1071-36-9

    References

    • Angewandte Chemie - International Edition, , vol. 50, # 19 p. 4470 - 4474

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-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   -0.47322
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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