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Methyl 2-(benzyloxy)-5-nitrobenzoate

  • CAS No. 508211-52-7

  • Cat. No. CS-0453106
  • Molecule weight287.27
  • Purity≥98%
  • MDL No.None

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

Methyl 2-(benzyloxy)-5-nitrobenzoate|CS-0453106

Structure of 508211-52-7

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General Information

  • CAS No. 508211-52-7
  • Cat. No. CS-0453106
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₃NO₅
  • Molecular Weight 287.27
  • Synonym(s) Methyl 2-(benzyloxy)-5-nitrobenzenecarboxylate
  • SMILES COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=CC=C2

Synthesis

  • Route1

    References

    • Takeda Chemical Industries, Ltd. Patent: EP1437344 A1, 2004 ; Location in patent: Page 69 ;
  • Route2
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      67-56-1
    • 2-(Benzyloxy)-5-nitrobenzoic acid|CS-0466741
      874523-84-9
    • ~%
    • Methyl 2-(benzyloxy)-5-nitrobenzoate|CS-0453106
      508211-52-7

    References

    • Foye; Feldmann Journal of the American Pharmaceutical Association (1912-1977), 1955 , vol. 44, p. 467,470

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   78.67
  • LogP   2.9604
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   5

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