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2-Oxo-2,3-dihydrobenzo[d]thiazole-6-carboxylic acid

  • CAS No. 99615-68-6

  • Cat. No. CS-0106203
  • Molecule weight195.20
  • Purity95+%
  • MDL No.MFCD08444018

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

2-Oxo-2,3-dihydrobenzo[d]thiazole-6-carboxylic acid|CS-0106203

Structure of 99615-68-6

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General Information

  • CAS No. 99615-68-6
  • Cat. No. CS-0106203
  • Purity 95+%
  • MDL No. MFCD08444018
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅NO₃S
  • Molecular Weight 195.20
  • Synonym(s) 2-Hydroxy-1,3-benzothiazole-6-carboxylic acid
  • SMILES O=C(C1=CC=C2NC(SC2=C1)=O)O

Synthesis

  • Route1
    • 4-Amino-3-mercaptobenzoic acid|CS-0096381
      14543-45-4
    • null|null
      79-22-1
    • ~81%
    • 2-Oxo-2,3-dihydrobenzo[d]thiazole-6-carboxylic acid|CS-0106203
      99615-68-6

    References

    • Institute of Pharmacology and Toxicology Academy of Military Medical Science, P.L.A Patent: US2011/319423 A1, 2011 ; Location in patent: Page/Page column 10 ;
  • Route2
    • 4-Amino-3-mercaptobenzoic acid|CS-0096381
      14543-45-4
    • null|null
      32315-10-9
    • ~92%
    • 2-Oxo-2,3-dihydrobenzo[d]thiazole-6-carboxylic acid|CS-0106203
      99615-68-6

    References

    • SANWA KAGAKU KENKYUSHO CO., LTD. Patent: EP1595866 A1, 2005 ; Location in patent: Page/Page column 26 ;
  • Route3
    • null|null
      1373399-28-0
    • ~85%
    • 2-Oxo-2,3-dihydrobenzo[d]thiazole-6-carboxylic acid|CS-0106203
      99615-68-6

    References

    • Li, Jiaojiao; Zhang, Yihua; Jiang, Yongwen; Ma, Dawei Tetrahedron Letters, 2012 , vol. 53, # 20 p. 2511 - 2513

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   70.16
  • LogP   1.2878
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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