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CS-W001157 4
Total: USD 88.00

1-(4-(Benzyloxy)-2-hydroxy-6-methoxyphenyl)ethanone

  • CAS No. 39548-89-5

  • Cat. No. CS-0155136
  • Molecule weight272.30
  • Purity≥98%
  • MDL No.MFCD09955327

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

1-(4-(Benzyloxy)-2-hydroxy-6-methoxyphenyl)ethanone|CS-0155136

Structure of 39548-89-5

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General Information

  • CAS No. 39548-89-5
  • Cat. No. CS-0155136
  • Purity ≥98%
  • MDL No. MFCD09955327
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₆O₄
  • Molecular Weight 272.30
  • Synonym(s) 4'-Benzyloxy-2'-hydroxy-6'-methoxyacetophenone
  • SMILES CC(=O)C1=C(C=C(C=C1OC)OCC2=CC=CC=C2)O

Synthesis

  • Route1
    • 7-(Benzyloxy)-5-methoxy-2-phenyl-4H-chromen-4-one|CS-0524455
      681294-57-5
    • ~71%
    • 1-(4-(Benzyloxy)-2-hydroxy-6-methoxyphenyl)ethanone|CS-0155136
      39548-89-5

    References

    • Liu, Tao; Nair, Somarajan J.; Lescarbeau, Andre; Belani, Jitendra; Peluso, Stephane; Conley, James; Tillotson, Bonnie; OHearn, Patrick; Smith, Sherri; Slocum, Kelly; West, Kip; Helble, Joseph; Douglas, Mark; Bahadoor, Adilah; Ali, Janid; McGovern, Karen; Fritz, Christian; Palombella, Vito J.; Wylie, Andrew; Castro, Alfredo C.; Tremblay, Martin R. Journal of Medicinal Chemistry, 2012 , vol. 55, # 20 p. 8859 - 8878,20 Title/Abstract Full Text Show Details Liu, Tao; Nair, Somarajan J.; Lescarbeau, Andre; Belani, Jitendra; Peluso, Stephane; Conley, James; Tillotson, Bonnie; OHearn, Patrick; Smith, Sherri; Slocum, Kelly; West, Kip; Helble, Joseph; Douglas, Mark; Bahadoor, Adilah; Ali, Janid; McGovern, Karen; Fritz, Christian; Palombella, Vito J.; Wylie, Andrew; Castro, Alfredo C.; Tremblay, Martin R. Journal of Medicinal Chemistry, 2012 , vol. 55, # 20 p. 8859 - 8878
  • Route2
    • 2',4'-Dihydroxy-6'-Methoxyacetophenone|CS-0017329
      3602-54-8
    • null|null
      100-39-0
    • ~10%
    • 1-(4-(Benzyloxy)-2-hydroxy-6-methoxyphenyl)ethanone|CS-0155136
      39548-89-5

    References

    • Kavvadias, Dominique; Sand, Philipp; Youdim, Kuresh A.; Qaiser, M. Zeeshan; Rice-Evans, Catherine; Baur, Roland; Sigel, Erwin; Rausch, Wolf-Dieter; Riederer, Peter; Schreier, Peter British Journal of Pharmacology, 2004 , vol. 142, # 5 p. 811 - 820
  • Route3

    References

    • Kavvadias, Dominique; Sand, Philipp; Youdim, Kuresh A.; Qaiser, M. Zeeshan; Rice-Evans, Catherine; Baur, Roland; Sigel, Erwin; Rausch, Wolf-Dieter; Riederer, Peter; Schreier, Peter British Journal of Pharmacology, 2004 , vol. 142, # 5 p. 811 - 820

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.76
  • LogP   3.1824
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   5

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