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CS-W001157 4
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10,11-Dihydrodibenz[b,f][1,4]oxazepin-11-one

  • CAS No. 3158-85-8

  • Cat. No. CS-0021641
  • Purity≥98%
  • MDL No.MFCD00005074

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

10,11-Dihydrodibenz[b,f][1,4]oxazepin-11-one|CS-0021641

Structure of 3158-85-8

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General Information

  • CAS No. 3158-85-8
  • Cat. No. CS-0021641
  • Purity ≥98%
  • MDL No. MFCD00005074
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₉NO₂
  • Molecular Weight 211.22
  • Synonym(s) Dibenz[b,f][1,4]oxazepin-11(10H)-one
  • SMILES O=C1NC2=CC=CC=C2OC3=CC=CC=C13

Description

10,11-Dihydrodibenz[b,f][1,4]oxazepin-11-one may be used in chemical synthesis studies.

Synthesis

  • Route1
    • 2-(2-Iodophenoxy)aniline|CS-0588803
      869790-15-8
    • null|null
      201230-82-2
    • ~99%
    • 10,11-Dihydrodibenz[b,f][1,4]oxazepin-11-one|CS-0021641
      3158-85-8

    References

    • Yang, Qian; Cao, Hong; Robertson, Al; Alper, Howard Journal of Organic Chemistry, 2010 , vol. 75, # 18 p. 6297 - 6299
  • Route2
    • 2-Aminodibenzo[b,f][1,4]oxazepin-11(10h)-one|CS-0283934
      23474-66-0
    • ~70%
    • 10,11-Dihydrodibenz[b,f][1,4]oxazepin-11-one|CS-0021641
      3158-85-8

    References

    • MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. Patent: WO2006/97449 A1, 2006 ; Location in patent: Page/Page column 16 ;
  • Route3
    • null|null
      171103-28-9
    • ~%
    • 10,11-Dihydrodibenz[b,f][1,4]oxazepin-11-one|CS-0021641
      3158-85-8

    References

    • Yakugaku Zasshi, , vol. 75, p. 1138 Chem.Abstr., , p. 5561

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   3.0446
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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