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CS-W001157 4
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3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid

  • CAS No. 272437-84-0

  • Cat. No. CS-0139220
  • Purity≥95%
  • MDL No.MFCD00456558

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

3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid|CS-0139220

Structure of 272437-84-0

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General Information

  • CAS No. 272437-84-0
  • Cat. No. CS-0139220
  • Purity ≥95%
  • MDL No. MFCD00456558
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₃S
  • Molecular Weight 209.22
  • Synonym(s) 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
  • SMILES O=C(NC1=C2)CSC1=CC=C2C(O)=O

Synthesis

  • Route1

    References

    • Allison, Brett D.; Gomez, Laurent; Grice, Cheryl A.; Hack, Michael D.; Morrow, Brian J.; Motley, S. Timothy; Santillan, Alejandro; Shaw, Karen J.; Schwarz, Kimberly L.; Tang, Liu Y.; Venkatesan, Hariharan; Wiener, John J. M. Patent: US2006/223810 A1, 2006 ; Location in patent: Page/Page column 22 ;
  • Route2
    • Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate|CS-0309065
      204863-53-6
    • ~81%
    • In-stock
      3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid|CS-0139220
      272437-84-0

    References

    • TAKEDA CHEMICAL INDUSTRIES, LTD. Patent: WO2004/46107 A1, 2004 ; Location in patent: Page 213 ; WO 2004/046107 A1
  • Route3
    • 4-Ethoxycarbonylmethylsulfanyl-3-nitrobenzoic acid|CS-0750475
      204863-51-4
    • ~88%
    • In-stock
      3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid|CS-0139220
      272437-84-0

    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

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

Quality Control

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   1.429
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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