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CS-W001157 4
Total: USD 88.00

5-(Benzyloxy)-4-methoxy-2-nitrobenzoic acid

  • CAS No. 60564-37-6

  • Cat. No. CS-0136028
  • Purity≥98%
  • MDL No.None

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

5-(Benzyloxy)-4-methoxy-2-nitrobenzoic acid|CS-0136028

Structure of 60564-37-6

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General Information

  • CAS No. 60564-37-6
  • Cat. No. CS-0136028
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₃NO₆
  • Molecular Weight 303.27
  • Synonym(s) 5-benzyloxy-4-methoxy-2-nitrobenzoic acid
  • SMILES O=C(O)C1=CC(OCC2=CC=CC=C2)=C(OC)C=C1[N+]([O-])=O

Synthesis

  • Route1
    • Benzyl 5-(benzyloxy)-4-methoxy-2-nitrobenzoate|CS-0668946
      634198-01-9
    • ~94%
    • 5-(Benzyloxy)-4-methoxy-2-nitrobenzoic acid|CS-0136028
      60564-37-6

    References

    • SURFACE LOGIX, INC.; BARTOLOZZI, Alessandra; SWEETNAM, Paul Patent: WO2006/105081 A2, 2006 ; Location in patent: Page/Page column 167; 168 ;
  • Route2
    • 5-(Benzyloxy)-4-methoxy-2-nitrobenzaldehyde|CS-0331703
      58662-50-3
    • ~77%
    • 5-(Benzyloxy)-4-methoxy-2-nitrobenzoic acid|CS-0136028
      60564-37-6

    References

    • Banwell, Martin G.; Hamel, Ernest; Ireland, Neil K.; Mackay, Maureen F.; Serelis, Algirdas K. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1993 , # 16 p. 1905 - 1912
  • Route3

    References

    • Banwell, Martin G.; Hamel, Ernest; Ireland, Neil K.; Mackay, Maureen F.; Serelis, Algirdas K. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1993 , # 16 p. 1905 - 1912

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

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Computational Chemistry Data

  • TPSA   98.9
  • LogP   2.8806
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   6

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