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Ethyl 2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetate

  • CAS No. 24683-20-3

  • Cat. No. CS-0127725
  • Purity≥97%
  • MDL No.None

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

Ethyl 2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetate|CS-0127725

Structure of 24683-20-3

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General Information

  • CAS No. 24683-20-3
  • Cat. No. CS-0127725
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₅S
  • Molecular Weight 269.27
  • Synonym(s) Saccharin N-(2-Acetic Acid Ethyl Ester) (Piroxicam Impurity E)
  • SMILES O=C(OCC)CN(C(C1=C2C=CC=C1)=O)S2(=O)=O

Synthesis

  • Route1

    References

    • CHIESI FARMACEUTICI S.P.A.; ARMANI, Elisabetta; AMARI, Gabriele; CAPALDI, Carmelida; CARZANIGA, Laura; LA PORTA, Elena; GUALA, Matilde Patent: WO2013/57013 A2, 2013 ; Location in patent: Page/Page column 103; 104 ;
  • Route2

    References

    • Nikolaev, Vsevolod; Hennig, Lothar; Sieler, Jochim; Rodina, Ludmila; Schulze, Barbel; Nikolaev, Valerij Organic and Biomolecular Chemistry, 2005 , vol. 3, # 22 p. 4108 - 4116
  • Route3
    • null|null
      4299-16-5
    • ~97%
    • Ethyl 2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetate|CS-0127725
      24683-20-3

    References

    • Sivaramakrishnan, Santhosh; Cummings, Andrea H.; Gates, Kent S. Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 2 p. 444 - 447

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   80.75
  • LogP   0.3942
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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