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CS-W001157 4
Total: USD 88.00

1-(6-Hydroxy-4,7-dimethoxybenzofuran-5-yl)ethan-1-one

  • CAS No. 484-51-5

  • Cat. No. CS-0317734
  • Purity95+%
  • MDL No.None

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

1-(6-Hydroxy-4,7-dimethoxybenzofuran-5-yl)ethan-1-one|CS-0317734

Structure of 484-51-5

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General Information

  • CAS No. 484-51-5
  • Cat. No. CS-0317734
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂O₅
  • Molecular Weight 236.22
  • Synonym(s) Khellinone
  • SMILES CC(=O)C1=C(C(=C2C(=C1OC)C=CO2)OC)O

Synthesis

  • Route1

    References

    • Gammill, Ronald B. Journal of Organic Chemistry, 1984 , vol. 49, # 26 p. 5035 - 5041
  • Route2
    • null|null
      98362-17-5
    • ~95%
    • 1-(6-Hydroxy-4,7-dimethoxybenzofuran-5-yl)ethan-1-one|CS-0317734
      484-51-5

    References

    • Yamashita, Ayako Journal of the American Chemical Society, 1985 , vol. 107, # 20 p. 5823 - 5824
  • Route3
    • null|null
      40512-23-0
    • ~%
    • 1-(6-Hydroxy-4,7-dimethoxybenzofuran-5-yl)ethan-1-one|CS-0317734
      484-51-5

    References

    • The Upjohn Company Patent: US4609739 A1, 1986 ;

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   68.9
  • LogP   2.3582
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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