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1-(2-Hydroxyphenyl)-3-(2-methoxyphenyl)propane-1,3-dione

  • CAS No. 6310-45-8

  • Cat. No. CS-0331543
  • Molecule weight270.28
  • Purity≥98%
  • MDL No.None

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

1-(2-Hydroxyphenyl)-3-(2-methoxyphenyl)propane-1,3-dione|CS-0331543

Structure of 6310-45-8

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General Information

  • CAS No. 6310-45-8
  • Cat. No. CS-0331543
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₄O₄
  • Molecular Weight 270.28
  • Synonym(s) 1-(2-Hydroxy-phenyl)-3-(2-methoxy-phenyl)-propane-1,3-dione
  • SMILES COC1=CC=CC=C1C(=O)CC(=O)C2=CC=CC=C2O

Synthesis

  • Route1
    • null|null
      55153-18-9
    • ~%
    • 1-(2-Hydroxyphenyl)-3-(2-methoxyphenyl)propane-1,3-dione|CS-0331543
      6310-45-8

    References

    • Mihokne, Ildiko B.; Toth, Gyorgy; Molnar, Sandor; Tamas, Tivadar; Sulyok, Gyorgy; Mudrane, Eva K. Patent: US2002/128494 A1, 2002 ;
  • Route2
    • 2-Acetylphenyl 2-methoxybenzoate|CS-0575307
      40316-66-3
    • ~64%
    • 1-(2-Hydroxyphenyl)-3-(2-methoxyphenyl)propane-1,3-dione|CS-0331543
      6310-45-8

    References

    • Ahmad; Zia-ul-Haq; Duddeck; Stefaniak; Sitkowski Monatshefte fur Chemie, 1997 , vol. 128, # 6-7 p. 633 - 640
  • Route3
    • 2'-Hydroxyacetophenone Paracetamol Impurity|CS-0228947
      118-93-4
    • null|null
      21615-34-9
    • ~%
    • 1-(2-Hydroxyphenyl)-3-(2-methoxyphenyl)propane-1,3-dione|CS-0331543
      6310-45-8

    References

    • Yunus, Uzma; Kauser, Rukhsana; Bhatti, Moazzam H.; Zia-Ul-Haq, Muhammad; Wong, Wai-Yeung Journal of Molecular Structure, 2011 , vol. 995, # 1-3 p. 173 - 180

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   2.8565
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   5

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