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CS-W001157 4
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Methyl 5-hydroxy-4-methoxy-2-nitrobenzoate

  • CAS No. 215659-03-3

  • Cat. No. CS-0133669
  • Purity≥98%
  • MDL No.MFCD17168870

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

Methyl 5-hydroxy-4-methoxy-2-nitrobenzoate|CS-0133669

Structure of 215659-03-3

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General Information

  • CAS No. 215659-03-3
  • Cat. No. CS-0133669
  • Purity ≥98%
  • MDL No. MFCD17168870
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₆
  • Molecular Weight None
  • Synonym(s) 5-hydroxy-4-methoxy-2-nitrobenzoic acid methyl ester
  • SMILES O=C(OC)C1=CC(O)=C(OC)C=C1[N+]([O-])=O

Synthesis

  • Route1

    References

    • CIPLA LIMITED; CURTIS, Philip, Anthony Patent: WO2008/125867 A2, 2008 ; Location in patent: Page/Page column 26 ;
  • Route2
    • null|null
      67-56-1
    • In-stock
      5-Hydroxy-4-methoxy-2-nitrobenzoic acid|CS-0099784
      31839-20-0
    • ~95%
    • In-stock
      Methyl 5-hydroxy-4-methoxy-2-nitrobenzoate|CS-0133669
      215659-03-3

    References

    • Helal, Christopher J.; Kang, Zhijun; Hou, Xinjun; Pandit, Jayvardhan; Chappie, Thomas A.; Humphrey, John M.; Marr, Eric S.; Fennell, Kimberly F.; Chenard, Lois K.; Fox, Carol; Schmidt, Christopher J.; Williams, Robert D.; Chapin, Douglas S.; Siuciak, Judith; Lebel, Lorraine; Menniti, Frank; Cianfrogna, Julia; Fonseca, Kari R.; Nelson, Frederick R.; O Connor, Rebecca; MacDougall, Mary; McDowell, Laura; Liras, Spiros Journal of Medicinal Chemistry, 2011 , vol. 54, # 13 p. 4536 - 4547
  • Route3
    • null|null
      67-56-1
    • In-stock
      Methyl 4,5-dimethoxy-2-nitrobenzoate|CS-W012795
      26791-93-5
    • ~93%
    • In-stock
      Methyl 5-hydroxy-4-methoxy-2-nitrobenzoate|CS-0133669
      215659-03-3

    References

    • Shih, Kae-Shyang; Hsieh, Yu-Jung; Liu, Ching-Wei Patent: US2010/267949 A1, 2010 ; Location in patent: Page/Page column 6 ;

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   98.9
  • LogP   1.0956
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   3

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