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CS-W001157 4
Total: USD 88.00

Ethyl carbonocyanidate

  • CAS No. 623-49-4

  • Cat. No. CS-0022374
  • Molecule weight99.09
  • Purity≥95%
  • MDL No.MFCD00001836

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

Ethyl carbonocyanidate|CS-0022374

Structure of 623-49-4

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General Information

  • CAS No. 623-49-4
  • Cat. No. CS-0022374
  • Purity ≥95%
  • MDL No. MFCD00001836
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅NO₂
  • Molecular Weight 99.09
  • Synonym(s) Ethyl cyanoformate; Cyanoformic Acid Ethyl Ester
  • SMILES O=C(C#N)OCC

Application

Ethyl carbonocyanidate serves as a versatile synthon in heterocyclic synthesis, enabling efficient access to cyano-substituted five-membered rings via [3+2] cycloadditions and nucleophilic trapping reactions. Its stability under standard bench conditions and compatibility with diverse functional groups facilitate straightforward purification and scalability, making it a reliable building block for complex molecular architectures in medicinal chemistry and materials science applications.

Synthesis

  • Route1
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      541-41-3
    • ~52%
    • In-stock
      Ethyl carbonocyanidate|CS-0022374
      623-49-4

    References

    • Betzler, Franziska M.; Klapoetke, Thomas M.; Sproll, Stefan M. European Journal of Organic Chemistry, 2013 , # 3 p. 509 - 514
  • Route2
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      7732-18-5
    • ~%
    • null|null
      68579-77-1
    • In-stock
      Ethyl carbonocyanidate|CS-0022374
      623-49-4

    References

    • Journal of the American Chemical Society, , vol. 110, # 23 p. 7604 - 7609
  • Route3

    References

    • Journal fuer Praktische Chemie (Leipzig), , vol. <2> 10, p. 196

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS05
Signal Word : Danger
UN#: 2920
Class : 8 (3)
Packing Group : Ⅱ
Hazard Statements : H226-H314
Precautionary Statements : P210-P233-P240-P241-P242-P243-P260-P264-P280-P301+P330+P331-P304+P340-P363-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   0.07308
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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