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CS-W001157 4
Total: USD 88.00

1-(3,6-Dihydroxy-2,4-dimethoxyphenyl)ethan-1-one

  • CAS No. 6962-57-8

  • Cat. No. CS-0550177
  • Purity≥98%
  • MDL No.None

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

1-(3,6-Dihydroxy-2,4-dimethoxyphenyl)ethan-1-one|CS-0550177

Structure of 6962-57-8

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General Information

  • CAS No. 6962-57-8
  • Cat. No. CS-0550177
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₅
  • Molecular Weight 212.20
  • Synonym(s) 3,6-DIHYDROXY-2,4-DIMETHOXYACETOPHENONE
  • SMILES CC(=O)C1=C(C(=C(C=C1O)OC)O)OC

Synthesis

  • Route1

    References

    • Twincore Zentrum für Experimentelle und Klinische Infektionsforschung GmbH; CNRS Centre National de la Recherche Scientifique; Université de Strasbourg; Pietschmann, Thomas; Haid, Sibylle; Gentzsch, Juliane; Grethe, Christina; Davioud-Charvet, Elisabeth; Lanfranchi, Don Antoine; Elhabiri, Mourad; Benlloch-Martin, Xavier Patent: EP2641904 A1, 2013 ; Location in patent: Paragraph 0091-0092 ;
  • Route2
    • null|null
      7702-17-2
    • ~67%
    • 1-(3,6-Dihydroxy-2,4-dimethoxyphenyl)ethan-1-one|CS-0550177
      6962-57-8

    References

    • TWINCORE GMBH; CNRS; UNIVERSITÉ DE STRASBOURG; PIETSCHMANN, Thomas; HAID, Sibylle; GENTZSCH, Juliane; GRETHE, Christina; DAVIOUD-CHARVET, Elisabeth; LANFRANCHI, Don Antoine; ELHABIRI, Mourad; BENLLOCH-MARTIN, Xavier Patent: WO2013/139487 A1, 2013 ; Location in patent: Page/Page column 35 ;
  • Route3

    References

    • Chu, Han-Wei; Wu, Huan-Ting; Lee, Yean-Jang Tetrahedron, 2004 , vol. 60, # 11 p. 2647 - 2655

Safety Information

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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   75.99
  • LogP   1.3176
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   3

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