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CS-W001157 4
Total: USD 88.00

3-Methoxy-2-nitro-4-(phenylmethoxy)benzoic acid

  • CAS No. 3584-32-5

  • Cat. No. CS-0040702
  • Molecule weight303.27
  • Purity≥95%
  • MDL No.MFCD14705094

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

3-Methoxy-2-nitro-4-(phenylmethoxy)benzoic acid|CS-0040702

Structure of 3584-32-5

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General Information

  • CAS No. 3584-32-5
  • Cat. No. CS-0040702
  • Purity ≥95%
  • MDL No. MFCD14705094
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₃NO₆
  • Molecular Weight 303.27
  • Synonym(s) 4-(Benzyloxy)-3-methoxy-2-nitrobenzoic acid
  • SMILES O=C(O)C1=CC=C(OCC2=CC=CC=C2)C(OC)=C1[N+]([O-])=O

Synthesis

  • Route1

    References

    • Raiford; Port; Perry Journal of the American Chemical Society, 1949 , vol. 71, p. 3851
  • Route2
    • 3-Methoxy-2-nitro-4-(phenylmethoxy)benzaldehyde|CS-0040688
      2450-27-3
    • ~97%
    • 3-Methoxy-2-nitro-4-(phenylmethoxy)benzoic acid|CS-0040702
      3584-32-5

    References

    • Rewcastle, Gordon W.; Gamage, Swarna A.; Flanagan, Jack U.; Frederick, Raphael; Denny, William A.; Baguley, Bruce C.; Kestell, Philip; Singh, Ripudaman; Kendall, Jackie D.; Marshall, Elaine S.; Lill, Claire L.; Lee, Woo-Jeong; Kolekar, Sharada; Buchanan, Christina M.; Jamieson, Stephen M. F.; Shepherd, Peter R. Journal of Medicinal Chemistry, 2011 , vol. 54, # 20 p. 7105 - 7126
  • Route3
    • null|null
      100-44-7
    • ~%
    • 3-Methoxy-2-nitro-4-(phenylmethoxy)benzoic acid|CS-0040702
      3584-32-5

    References

    • Raiford; Port; Perry Journal of the American Chemical Society, 1949 , vol. 71, p. 3851

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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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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