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CS-W001157 4
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Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate

  • CAS No. 204863-53-6

  • Cat. No. CS-0309065
  • Molecule weight237.27
  • Purity95+%
  • MDL No.None

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

Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate|CS-0309065

Structure of 204863-53-6

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General Information

  • CAS No. 204863-53-6
  • Cat. No. CS-0309065
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₃S
  • Molecular Weight 237.27
  • Synonym(s) ETHYL 3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]THIAZINE-6-CARBOXYLATE
  • SMILES CCOC(C1=CC2=C(SCC(N2)=O)C=C1)=O

Synthesis

  • Route1
    • Ethyl 4-((2-ethoxy-2-oxoethyl)thio)-3-nitrobenzoate|CS-0576253
      204863-52-5
    • ~54%
    • Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate|CS-0309065
      204863-53-6

    References

    • TAKEDA CHEMICAL INDUSTRIES, LTD. Patent: WO2004/46107 A1, 2004 ; Location in patent: Page 212-213 ; WO 2004/046107 A1
  • Route2
    • 4-Ethoxycarbonylmethylsulfanyl-3-nitrobenzoic acid|CS-0750475
      204863-51-4
    • ~%
    • Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate|CS-0309065
      204863-53-6

    References

    • Yamamoto, Takeshi; Hori, Manabu; Watanabe, Ikuo; Harada, Kengo; Ikeda, Shoji; Ohtaka, Hiroshi Chemical and Pharmaceutical Bulletin, 2000 , vol. 48, # 6 p. 843 - 849
  • Route3

    References

    • Yamamoto, Takeshi; Hori, Manabu; Watanabe, Ikuo; Harada, Kengo; Ikeda, Shoji; Ohtaka, Hiroshi Chemical and Pharmaceutical Bulletin, 2000 , vol. 48, # 6 p. 843 - 849

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317
Precautionary Statements : P261-P272-P280-P302+P352-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.4
  • LogP   1.9075
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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