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CS-W001157 4
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Methyl benzo[d]thiazole-2-carboxylate

  • CAS No. 87802-07-1

  • Cat. No. CS-0326142
  • Purity95+%
  • MDL No.None

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

Methyl benzo[d]thiazole-2-carboxylate|CS-0326142

Structure of 87802-07-1

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General Information

  • CAS No. 87802-07-1
  • Cat. No. CS-0326142
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₂S
  • Molecular Weight 193.22
  • Synonym(s) 2-Benzothiazolecarboxylicacid,methylester(9CI)
  • SMILES COC(=O)C1=NC2=CC=CC=C2S1

Synthesis

  • Route1
    • Benzothiazole, ≥96%|CS-1269066
      95-16-9
    • null|null
      124-38-9
    • null|null
      74-88-4
    • ~95%
    • Methyl benzo[d]thiazole-2-carboxylate|CS-0326142
      87802-07-1

    References

    • Vechorkin, Oleg; Hirt, Nathalie; Hu, Xile Organic Letters, 2010 , vol. 12, # 15 p. 3567 - 3569
  • Route2

    References

    • JANSSEN PHARMACEUTICA, N.V. Patent: WO2004/22060 A2, 2004 ; Location in patent: Page/Page column 43 ; WO 2004/022060 A2
  • Route3

    References

    • Coppa, Fausta; Fontana, Francesca; Lazzarini, Edoardo; Minisci, Francesco; Pianese, Guiseppe; Zhao, Lihua Tetrahedron Letters, 1992 , vol. 33, # 21 p. 3057 - 3060

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

Quality Control

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   2.0829
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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