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3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carbaldehyde

  • CAS No. 200195-19-3

  • Cat. No. CS-0085217
  • Purity≥98%
  • MDL No.MFCD11878405

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

3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carbaldehyde|CS-0085217

Structure of 200195-19-3

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General Information

  • CAS No. 200195-19-3
  • Cat. No. CS-0085217
  • Purity ≥98%
  • MDL No. MFCD11878405
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₃
  • Molecular Weight 177.16
  • Synonym(s) 3-oxo-4H-1,4-benzoxazine-7-carbaldehyde
  • SMILES O=CC1=CC=C2NC(COC2=C1)=O

Synthesis

  • Route1
    • null|null
      852233-77-3
    • ~65%
    • In-stock
      3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carbaldehyde|CS-0085217
      200195-19-3

    References

    • UNIVERSITY OF LJUBLJANA; LEK PHARMACEUTICALS d.d. Patent: WO2005/51934 A1, 2005 ; Location in patent: Page/Page column 37-38 ;
  • Route2
    • 7-(Hydroxymethyl)-4H-1,4-benzoxazin-3-one|CS-0754790
      253687-16-0
    • ~%
    • In-stock
      3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carbaldehyde|CS-0085217
      200195-19-3

    References

    • Morphochem Aktiengesellschaft Fur Kombinatorische Chemie Patent: US2010/324030 A1, 2010 ; Location in patent: Page/Page column 19 ;
  • Route3

    References

    • Anderluh, Petra Stefanic; Anderluh, Marko; Ilas, Janez; Mravljak, Janez; Dolenc, Marija Sollner; Stegnar, Mojca; Kikelj, Danijel Journal of Medicinal Chemistry, 2005 , vol. 48, # 9 p. 3110 - 3113

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   55.4
  • LogP   0.83
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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