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CS-W001157 4
Total: USD 88.00

5-(Benzyloxy)-2-nitrobenzoicacid

  • CAS No. 61340-15-6

  • Cat. No. CS-0171390
  • Molecule weight273.24
  • Purity≥95%
  • MDL No.None

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

5-(Benzyloxy)-2-nitrobenzoicacid|CS-0171390

Structure of 61340-15-6

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General Information

  • CAS No. 61340-15-6
  • Cat. No. CS-0171390
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₁NO₅
  • Molecular Weight 273.24
  • Synonym(s) 5-(Benzyloxy)-2-nitrobenzoic acid
  • SMILES C1=CC=C(C=C1)COC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Synthesis

  • Route1
    • null|null
      61340-14-5
    • ~88%
    • 5-(Benzyloxy)-2-nitrobenzoicacid|CS-0171390
      61340-15-6

    References

    • SCHERING CORPORATION Patent: WO2006/19768 A1, 2006 ; Location in patent: Page column 84 ; WO 2006/019768 A1
  • Route2
    • 5-(Benzyloxy)-2-nitrobenzaldehyde|CS-0580638
      58662-54-7
    • ~98%
    • 5-(Benzyloxy)-2-nitrobenzoicacid|CS-0171390
      61340-15-6

    References

    • Roche, Olivier; Rodriguez Sarmiento, Rosa Maria Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 13 p. 3670 - 3675
  • Route3
    • null|null
      100-44-7
    • ~%
    • 5-(Benzyloxy)-2-nitrobenzoicacid|CS-0171390
      61340-15-6

    References

    • Roche, Olivier; Rodriguez Sarmiento, Rosa Maria Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 13 p. 3670 - 3675

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-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   89.67
  • LogP   2.872
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   5

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