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CS-W001157 4
Total: USD 88.00

Ethyl 2-acetyl-4-cyanobutanoate

  • CAS No. 10444-33-4

  • Cat. No. CS-0206225
  • Purity≥97%
  • MDL No.MFCD00463796

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

Ethyl 2-acetyl-4-cyanobutanoate|CS-0206225

Structure of 10444-33-4

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General Information

  • CAS No. 10444-33-4
  • Cat. No. CS-0206225
  • Purity ≥97%
  • MDL No. MFCD00463796
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃NO₃
  • Molecular Weight 183.20
  • Synonym(s) Ethyl 2-(2-cyanoethyl)-3-oxobutanoate
  • SMILES O=C(OCC)C(C(C)=O)CCC#N

Synthesis

  • Route1

    References

    • Ozaki; Watanabe; Nagase; et al. Chemical and Pharmaceutical Bulletin, 1986 , vol. 34, # 2 p. 893 - 896
  • Route2
    • In-stock
      Ethyl acetoacetate|CS-0016216
      141-97-9
    • null|null
      107-13-1
    • ~22%
    • Ethyl 2-acetyl-4-cyanobutanoate|CS-0206225
      10444-33-4
    • null|null
      1112-25-0

    References

    • Ko, Kyungmin; Nakano, Keiji; Watanabe, Shigeru; Ichikawa, Yoshiyasu; Kotsuki, Hiyoshizo Tetrahedron Letters, 2009 , vol. 50, # 28 p. 4025 - 4029
  • Route3

    References

    • Keimatsu; Sugasawa Yakugaku Zasshi, 1928 , vol. 48, p. 105 Chem. Zentralbl., 1928 , vol. 99, # II p. 1882

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

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Computational Chemistry Data

  • TPSA   67.16
  • LogP   1.05848
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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