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CS-W001157 4
Total: USD 88.00

2,3,4,5-Tetrahydro-1,5-benzoxazepin-4-one

  • CAS No. 704-48-3

  • Cat. No. CS-0248843
  • Molecule weight163.17
  • Purity95+%
  • MDL No.None

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

2,3,4,5-Tetrahydro-1,5-benzoxazepin-4-one|CS-0248843

Structure of 704-48-3

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General Information

  • CAS No. 704-48-3
  • Cat. No. CS-0248843
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₂
  • Molecular Weight 163.17
  • Synonym(s) 2,3-Dihydro-1,5-benzoxazepin-4(5h)-one
  • SMILES N1C(CCOC2=C1C=CC=C2)=O

Synthesis

  • Route1
    • 3-(2-Aminophenoxy)propanoic acid|CS-0668846
      6303-99-7
    • ~%
    • 2,3,4,5-Tetrahydro-1,5-benzoxazepin-4-one|CS-0248843
      704-48-3

    References

    • Huckle,D. et al. Journal of the Chemical Society, 1965 , p. 1137 - 1141
  • Route2

    References

    • Tandon, Vishnu K.; Awasthi, Anoop K.; Maurya, Hardesh K.; Mishra, Pushyamitra Journal of Heterocyclic Chemistry, 2012 , vol. 49, # 2 p. 424 - 427
  • Route3

    References

    • Kamei, Katsuhide; Maeda, Noriko; Nomura, Kayoko; Shibata, Makoto; Katsuragi-Ogino, Ryoko; Koyama, Makoto; Nakajima, Mika; Inoue, Teruyoshi; Ohno, Tomochika; Tatsuoka, Toshio Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 6 p. 1978 - 1992

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   1.4076
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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