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CS-W001157 4
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Ethyl 2-(hydroxyimino)-3-oxobutanoate

  • CAS No. 5408-04-8

  • Cat. No. CS-0008541
  • Purity≥97%
  • MDL No.None

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

Ethyl 2-(hydroxyimino)-3-oxobutanoate|CS-0008541

Structure of 5408-04-8

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General Information

  • CAS No. 5408-04-8
  • Cat. No. CS-0008541
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₉NO₄
  • Molecular Weight 159.14
  • Synonym(s) Butyric acid, 2,3-dioxo-, ethyl ester, 2-oxime (6CI,7CI,8CI); Butyric acid, α,β-dioxo-, ethyl ester α-oxime (4CI); OXIMINOACETOACETIC ESTER
  • SMILES CC(/C(C(OCC)=O)=N/O)=O

Synthesis

  • Route1

    References

    • Shionogi and Co., Ltd.; YUKIMASA, Akira Patent: WO2012/144661 A1, 2012 ; Location in patent: Page/Page column 84 ; WO 2012/144661 A1
  • Route2
    • null|null
      67764-33-4
    • In-stock
      Ethyl acetoacetate|CS-0016216
      141-97-9
    • ~%
    • In-stock
      Ethyl 2-(hydroxyimino)-3-oxobutanoate|CS-0008541
      5408-04-8

    References

    • Chemische Berichte, , vol. 15, p. 1051 Chemische Berichte, , vol. 11, p. 323 Chemische Berichte, , vol. 39, p. 785 Bulletin de la Societe Chimique de France, , vol. <3> 15, p. 227 Chemische Berichte, , vol. 28, p. 2683 Chemische Berichte, , vol. 35, p. 151 Chemische Berichte, , vol. 15, p. 1326 Chemische Berichte, , vol. 10, p. 2076 Bulletin de la Societe Chimique de France, , vol. <3> 33, p. 485 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 138, p. 1223
  • Route3
    • Ethyl 3-ethoxybut-2-enoate|CS-0250815
      998-91-4
    • ~%
    • In-stock
      Ethyl 2-(hydroxyimino)-3-oxobutanoate|CS-0008541
      5408-04-8

    References

    • Justus Liebigs Annalen der Chemie, , vol. 398, p. 69

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-H315-H319-H335
Precautionary Statements : P264-P270-P330

Quality Control

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Computational Chemistry Data

  • TPSA   75.96
  • LogP   -0.0313
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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