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CS-W001157 4
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3-(2-Ethoxy-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide

  • CAS No. 464913-33-5

  • Cat. No. CS-M0891
  • Purity≥97%
  • MDL No.MFCD11045069

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

3-(2-Ethoxy-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide|CS-M0891

Structure of 464913-33-5

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General Information

  • CAS No. 464913-33-5
  • Cat. No. CS-M0891
  • Purity ≥97%
  • MDL No. MFCD11045069
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₆N₂O₅
  • Molecular Weight 304.30
  • Synonym(s) 3-((2-Ethoxy-3,4-dioxocyclobut-1-en-1-yl)amino)-2-hydroxy-N,N-dimethylbenzamide
  • SMILES O=C(C1=O)C(NC2=C(O)C(C(N(C)C)=O)=CC=C2)=C1OCC

Synthesis

  • Route1

    References

    • SCHERING CORPORATION Patent: WO2009/5801 A1, 2009 ; Location in patent: Page/Page column 32 ;
  • Route2

    References

    • Chao, Jianhua; Taveras, Arthur G.; Chao, Jianping; Aki, Cynthia; Dwyer, Michael; Yu, Younong; Purakkattle, Biju; Rindgen, Diane; Jakway, James; Hipkin, William; Fosetta, James; Fan, Xuedong; Lundell, Daniel; Fine, Jay; Minnicozzi, Michael; Phillips, Jonathan; Merritt, J. Robert Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 13 p. 3778 - 3783
  • Route3
    • 2-Hydroxy-N,N-dimethyl-3-nitrobenzamide|CS-M1414
      66952-65-6
    • ~%
    • 3-(2-Ethoxy-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide|CS-M0891
      464913-33-5

    References

    • Chao, Jianhua; Taveras, Arthur G.; Chao, Jianping; Aki, Cynthia; Dwyer, Michael; Yu, Younong; Purakkattle, Biju; Rindgen, Diane; Jakway, James; Hipkin, William; Fosetta, James; Fan, Xuedong; Lundell, Daniel; Fine, Jay; Minnicozzi, Michael; Phillips, Jonathan; Merritt, J. Robert Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 13 p. 3778 - 3783

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 : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   95.94
  • LogP   0.8323
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   5

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