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CS-W001157 4
Total: USD 88.00

Ethyl 4-(4-chlorophenyl)-2,4-dioxobutanoate

  • CAS No. 5814-38-0

  • Cat. No. CS-0122067
  • Purity≥98%
  • MDL No.MFCD01935972

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

Ethyl 4-(4-chlorophenyl)-2,4-dioxobutanoate|CS-0122067

Structure of 5814-38-0

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General Information

  • CAS No. 5814-38-0
  • Cat. No. CS-0122067
  • Purity ≥98%
  • MDL No. MFCD01935972
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁ClO₄
  • Molecular Weight 254.67
  • Synonym(s) 4-(4-chlorophenyl)-2,4-dioxobutyric acid ethyl ester
  • SMILES O=C(OCC)C(CC(C1=CC=C(Cl)C=C1)=O)=O

Synthesis

  • Route1
    • null|null
      99-91-2
    • null|null
      95-92-1
    • ~97%
    • In-stock
      Ethyl 4-(4-chlorophenyl)-2,4-dioxobutanoate|CS-0122067
      5814-38-0

    References

    • GLAX0SMITHKLINE LLC; BURGESS, Joelle, Lorraine; JOHNSON, Neil, W.; KNIGHT, Steven, David; LAFRANCE, Louis, Vincent, III; MILLER, William, H.; NEWLANDER, Kenneth, Allen; ROMERIL, Stuart, Paul; ROUSE, Meagan, B.; SUAREZ, Dominic; TIAN, Xinrong; VERMA, Sharad, Kumar Patent: WO2013/39988 A1, 2013 ; Location in patent: Page/Page column 169-170 ;
  • Route2
    • null|null
      95-92-1
    • ~79%
    • In-stock
      Ethyl 4-(4-chlorophenyl)-2,4-dioxobutanoate|CS-0122067
      5814-38-0

    References

    • DAIICHI PHARMACEUTICAL CO., LTD. Patent: EP1591443 A1, 2005 ; Location in patent: Page/Page column 24-25 ;

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.44
  • LogP   2.045
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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