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CS-W001157 4
Total: USD 88.00

Ethyl 2-cyano-3-oxo-3-phenylpropanoate

  • CAS No. 1611-02-5

  • Cat. No. CS-0582805
  • Purity≥98%
  • MDL No.None

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

Ethyl 2-cyano-3-oxo-3-phenylpropanoate|CS-0582805

Structure of 1611-02-5

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General Information

  • CAS No. 1611-02-5
  • Cat. No. CS-0582805
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁NO₃
  • Molecular Weight 217.22
  • Synonym(s) Ethyl benzoylcyanoacetate
  • SMILES CCOC(=O)C(C#N)C(=O)C1=CC=CC=C1

Synthesis

  • Route1
    • null|null
      98-88-4
    • null|null
      105-56-6
    • ~85%
    • Ethyl 2-cyano-3-oxo-3-phenylpropanoate|CS-0582805
      1611-02-5

    References

    • Jung, Jae-Chul; Blake Watkins; Avery, Mitchell A. Heterocycles, 2005 , vol. 65, # 1 p. 77 - 94
  • Route2
    • null|null
      105-56-6
    • null|null
      60759-50-4
    • ~98%
    • Ethyl 2-cyano-3-oxo-3-phenylpropanoate|CS-0582805
      1611-02-5

    References

    • Kunieda, Takehisa; Higuchi, Tsunehiko; Abe, Yoshihiro; Hirobe, Masaaki Tetrahedron, 1983 , vol. 39, # 20 p. 3253 - 3260
  • Route3
    • Ethyl-5-phenyl-isoxazole-4-carboxylate|CS-0757644
      50784-69-5
    • ~51%
    • Ethyl 2-cyano-3-oxo-3-phenylpropanoate|CS-0582805
      1611-02-5

    References

    • Schenone, Pietro; Fossa, Paola; Menozzi, Giulia Journal of Heterocyclic Chemistry, 1991 , vol. 28, # 2 p. 453 - 457

Safety Information

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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   67.16
  • LogP   1.57218
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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