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

  • CAS No. 188614-01-9

  • Cat. No. CS-W002612
  • Purity≥97%
  • MDL No.MFCD00449104

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

Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate|CS-W002612

Structure of 188614-01-9

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General Information

  • CAS No. 188614-01-9
  • Cat. No. CS-W002612
  • Purity ≥97%
  • MDL No. MFCD00449104
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₃S
  • Molecular Weight 223.25
  • Synonym(s) Methyl-3-Oxo-3,4-Dihydro-2H-1,
  • SMILES COC(=O)c1ccc2c(c1)NC(=O)CS2

Synthesis

  • Route1
    • null|null
      2365-48-2
    • In-stock
      Methyl 3-amino-4-iodobenzoate|CS-W008063
      412947-54-7
    • ~91%
    • In-stock
      Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate|CS-W002612
      188614-01-9

    References

    • Huang, Wei-Sheng; Xu, Rongsong; Dodd, Rory; Shakespeare, William C. Tetrahedron Letters, 2013 , vol. 54, # 38 p. 5214 - 5216
  • Route2
    • Methyl 4-((2-ethoxy-2-oxoethyl)thio)-3-nitrobenzoate|CS-0715365
      188614-00-8
    • ~89%
    • In-stock
      Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate|CS-W002612
      188614-01-9

    References

    • Preuss, Janina; Malone, Patrick; Peddibhotla, Satyamaheshwar; Hedrick, Michael P.; Hershberger, Paul; Gosalia, Palak; Milewski, Monika; Li, Yujie Linda; Sugarman, Eliot; Hood, Becky; Suyama, Eigo; Nguyen, Kevin; Vasile, Stefan; Sergienko, Eduard; Mangravita-Novo, Arianna; Vicchiarelli, Michael; McAnally, Danielle; Smith, Layton H; Roth, Gregory P.; Diwan, Jena; Chung, Thomas D.Y.; Jortzik, Esther; Rahlfs, Stefan; Becker, Katja; Pinkerton, Anthony B.; Bode, Lars Journal of Medicinal Chemistry, 2012 , vol. 55, # 16 p. 7262 - 7272
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 55, # 16 p. 7262 - 7272

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.4
  • LogP   1.5174
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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