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CS-W001157 4
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Methyl 2-methoxy-5-methyl-3-nitrobenzoate

  • CAS No. 863226-26-0

  • Cat. No. CS-0077283
  • Molecule weight225.20
  • Purity95+%
  • MDL No.MFCD14560554

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

Methyl 2-methoxy-5-methyl-3-nitrobenzoate|CS-0077283

Structure of 863226-26-0

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General Information

  • CAS No. 863226-26-0
  • Cat. No. CS-0077283
  • Purity 95+%
  • MDL No. MFCD14560554
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₅
  • Molecular Weight 225.20
  • Synonym(s) Methyl 2-methoxy-5-methyl-3-nitrobenzenecarboxylate
  • SMILES COC1=C(C(OC)=O)C=C(C)C=C1[N+]([O-])=O

Synthesis

  • Route1
    • Methyl 2-hydroxy-5-methyl-3-nitrobenzoate|CS-0454778
      67191-44-0
    • null|null
      74-88-4
    • ~84%
    • Methyl 2-methoxy-5-methyl-3-nitrobenzoate|CS-0077283
      863226-26-0

    References

    • Yan, Yan; Qin, Bo; Shu, Yingying; Chen, Xiuying; Yip, Yeow Kwan; Zhang, Dawei; Su, Haibin; Zeng, Huaqiang Organic Letters, 2009 , vol. 11, # 6 p. 1201 - 1204 Title/Abstract Full Text View citing articles Show Details Yan, Yan; Qin, Bo; Ren, Changliang; Yip, Yeow Kwan; Ye, Ruijuan; Zeng, Huaqiang; Chen, Xiuying; Su, Haibin; Zhang, Dawei Journal of the American Chemical Society, 2010 , vol. 132, # 16 p. 5869 - 5879
  • Route2

    References

    • Yi, Hui-Ping; Li, Chuang; Hou, Jun-Li; Jiang, Xi-Kui; Li, Zhan-Ting Tetrahedron, 2005 , vol. 61, # 33 p. 7974 - 7980
  • Route3

    References

    • Yi, Hui-Ping; Li, Chuang; Hou, Jun-Li; Jiang, Xi-Kui; Li, Zhan-Ting Tetrahedron, 2005 , vol. 61, # 33 p. 7974 - 7980

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   78.67
  • LogP   1.69842
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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