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CS-W001157 4
Total: USD 88.00

Ethyl 2-cyano-2-phenylacetate

  • CAS No. 4553-07-5

  • Cat. No. CS-0038564
  • Purity≥95%
  • MDL No.None

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

Ethyl 2-cyano-2-phenylacetate|CS-0038564

Structure of 4553-07-5

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General Information

  • CAS No. 4553-07-5
  • Cat. No. CS-0038564
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₂
  • Molecular Weight 189.21
  • Synonym(s) Phenylcyanoacetic Acid Ethyl Ester
  • SMILES CCOC(=O)C(C#N)C1=CC=CC=C1

Synthesis

  • Route1
    • In-stock
      Iodobenzene|CS-W008603
      591-50-4
    • null|null
      105-56-6
    • ~89%
    • In-stock
      Ethyl 2-cyano-2-phenylacetate|CS-0038564
      4553-07-5

    References

    • Taillefer, Marc; Cristau, Henri-Jean; Cellier, Pascal-Philippe Patent: US2005/234239 A1, 2005 ; Location in patent: Page/Page column 39 ;
  • Route2
    • null|null
      108-90-7
    • null|null
      105-56-6
    • ~91%
    • In-stock
      Ethyl 2-cyano-2-phenylacetate|CS-0038564
      4553-07-5

    References

    • You, Jingsong; Verkade, John G. Angewandte Chemie - International Edition, 2003 , vol. 42, # 41 p. 5051 - 5053
  • Route3
    • null|null
      108-86-1
    • null|null
      105-56-6
    • ~95%
    • In-stock
      Ethyl 2-cyano-2-phenylacetate|CS-0038564
      4553-07-5

    References

    • You, Jingsong; Verkade, John G. Journal of Organic Chemistry, 2003 , vol. 68, # 21 p. 8003 - 8007

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   1.85688
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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