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CS-W001157 4
Total: USD 88.00

Ethyl 2,3-dicyano-3-phenylpropanoate

  • CAS No. 5473-13-2

  • Cat. No. CS-0245548
  • Purity≥95%
  • MDL No.None

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

Ethyl 2,3-dicyano-3-phenylpropanoate|CS-0245548

Structure of 5473-13-2

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General Information

  • CAS No. 5473-13-2
  • Cat. No. CS-0245548
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₂N₂O₂
  • Molecular Weight 228.25
  • Synonym(s) Benzenepropanoic acid, a,b-dicyano-, ethyl ester
  • SMILES O=C(OCC)C(C#N)C(C#N)C1=CC=CC=C1

Synthesis

  • Route1
    • null|null
      100-52-7
    • ~%
    • Ethyl 2,3-dicyano-3-phenylpropanoate|CS-0245548
      5473-13-2

    References

    • Finke, Paul E.; Meurer, Laura C.; Levorse, Dorothy A.; Mills, Sander G.; MacCoss, Malcolm; Sadowski, Sharon; Cascieri, Margaret A.; Tsao, Kwei-Lan; Chicchi, Gary G.; Metzger, Joseph M.; MacIntyre, D. Euan Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 17 p. 4497 - 4503
  • Route2
    • null|null
      105-56-6
    • ~%
    • Ethyl 2,3-dicyano-3-phenylpropanoate|CS-0245548
      5473-13-2

    References

    • Finke, Paul E.; Meurer, Laura C.; Levorse, Dorothy A.; Mills, Sander G.; MacCoss, Malcolm; Sadowski, Sharon; Cascieri, Margaret A.; Tsao, Kwei-Lan; Chicchi, Gary G.; Metzger, Joseph M.; MacIntyre, D. Euan Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 17 p. 4497 - 4503
  • Route3

    References

    • Baker; Lapworth Journal of the Chemical Society, 1925 , vol. 127, p. 566

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   73.88
  • LogP   1.99666
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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