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CS-W001157 4
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Methyl 8-oxobicyclo[4.2.0]Octa-1,3,5-triene-7-carboxylate

  • CAS No. 17539-22-9

  • Cat. No. CS-0478134
  • Purity≥98%
  • MDL No.None

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

Methyl 8-oxobicyclo[4.2.0]Octa-1,3,5-triene-7-carboxylate|CS-0478134

Structure of 17539-22-9

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General Information

  • CAS No. 17539-22-9
  • Cat. No. CS-0478134
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈O₃
  • Molecular Weight 176.17
  • Synonym(s) Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid, 8-oxo-, methyl ester
  • SMILES COC(=O)C1C2C(=CC=CC=2)C1=O

Synthesis

  • Route1
    • null|null
      67-56-1
    • null|null
      147688-73-1
    • ~0%
    • In-stock
      Methyl 2-(2-methoxy-2-oxoethyl)benzoate|CS-0099741
      716-43-8
    • Methyl 8-oxobicyclo[4.2.0]Octa-1,3,5-triene-7-carboxylate|CS-0478134
      17539-22-9

    References

    • Murata, Shigeru; Sugiyama, Kenji; Tomioka, Hideo Journal of Organic Chemistry, 1993 , vol. 58, # 7 p. 1976 - 1984
  • Route2
    • null|null
      67-56-1
    • null|null
      1807-49-4
    • ~%
    • Methyl 8-oxobicyclo[4.2.0]Octa-1,3,5-triene-7-carboxylate|CS-0478134
      17539-22-9

    References

    • Spangler,R.-J. et al. Journal of Organic Chemistry, 1977 , vol. 42, p. 1697 - 1703
  • Route3
    • null|null
      67-56-1
    • null|null
      1807-49-4
    • ~%
    • In-stock
      Methyl 2-(2-methoxy-2-oxoethyl)benzoate|CS-0099741
      716-43-8
    • Methyl 8-oxobicyclo[4.2.0]Octa-1,3,5-triene-7-carboxylate|CS-0478134
      17539-22-9

    References

    • De Lucas, Nanci Camara; Andraos, John; Netto-Ferreira; Scaiano Tetrahedron Letters, 1995 , vol. 36, # 5 p. 677 - 680

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.1395
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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