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CS-W001157 4
Total: USD 88.00

3,4-Dihydrobenzo[b]oxepin-5(2H)-one

  • CAS No. 6786-30-7

  • Cat. No. CS-0006412
  • Molecule weight162.19
  • Purity≥97%
  • MDL No.MFCD01648756

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

3,4-Dihydrobenzo[b]oxepin-5(2H)-one|CS-0006412

Structure of 6786-30-7

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General Information

  • CAS No. 6786-30-7
  • Cat. No. CS-0006412
  • Purity ≥97%
  • MDL No. MFCD01648756
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₂
  • Molecular Weight 162.19
  • Synonym(s) 3,4-Dihydro-2H-benzo[b]oxepin-5-one
  • SMILES O=C1CCCOC2=CC=CC=C21

Synthesis

  • Route1
    • null|null
      5139-89-9
    • ~%
    • 3,4-Dihydrobenzo[b]oxepin-5(2H)-one|CS-0006412
      6786-30-7

    References

    • US5194442 A1, ;
  • Route2

    References

    • Lloyd, David G.; Hughes, Rosario B.; Zisterer, Daniela M.; Williams, D. Clive; Fattorusso, Caterina; Catalanotti, Bruno; Campiani, Giuseppe; Meegan, Mary J. Journal of Medicinal Chemistry, 2004 , vol. 47, # 23 p. 5612 - 5615
  • Route3
    • 1-[2-(2-bromoethoxy)phenyl]ethan-1-one|CS-0220909
      52191-14-7
    • ~77%
    • 3,4-Dihydrobenzo[b]oxepin-5(2H)-one|CS-0006412
      6786-30-7

    References

    • Nikitin, Kirill V.; Andryukhova, Nonna P. Canadian Journal of Chemistry, 2004 , vol. 82, # 5 p. 571 - 578

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.0419
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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