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Ethyl 2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetate

  • CAS No. 82191-17-1

  • Cat. No. CS-0094325
  • Molecule weight251.30
  • Purity≥97%
  • MDL No.MFCD00023888

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

Ethyl 2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetate|CS-0094325

Structure of 82191-17-1

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General Information

  • CAS No. 82191-17-1
  • Cat. No. CS-0094325
  • Purity ≥97%
  • MDL No. MFCD00023888
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃NO₃S
  • Molecular Weight 251.30
  • Synonym(s) Ethyl 2-(3-oxo-3,4-dihydro-2h-1,4-benzothiazin-2-yl)acetate
  • SMILES O=C(OCC)CC1SC2=CC=CC=C2NC1=O

Synthesis

  • Route1

    References

    • Journal of the American Chemical Society, , vol. 81, p. 1721,1722
  • Route2

    References

    • Aotsuka; Hosono; Kurihara; Nakamura; Matsui; Kobayashi Chemical and Pharmaceutical Bulletin, 1994 , vol. 42, # 6 p. 1264 - 1271
  • Route3
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      137-07-5
    • ~%
    • Ethyl 2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetate|CS-0094325
      82191-17-1

    References

    • Australian Journal of Chemistry, , vol. 39, # 3 p. 503 - 510

Safety Information

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Computational Chemistry Data

  • TPSA   55.4
  • LogP   2.0526
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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