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CS-W001157 4
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Benzyl 3-aminobenzoate

  • CAS No. 80787-43-5

  • Cat. No. CS-0258478
  • Molecule weight227.26
  • Purity95+%
  • MDL No.None

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

Benzyl 3-aminobenzoate|CS-0258478

Structure of 80787-43-5

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General Information

  • CAS No. 80787-43-5
  • Cat. No. CS-0258478
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₃NO₂
  • Molecular Weight 227.26
  • Synonym(s) Benzoic acid, 3-amino-, phenylmethyl ester
  • SMILES O=C(OCC1=CC=CC=C1)C2=CC=CC(N)=C2

Synthesis

  • Route1
    • Benzyl 3-((tert-Butoxycarbonyl)amino)benzoate|CS-1648194
      123986-60-7
    • ~97%
    • Benzyl 3-aminobenzoate|CS-0258478
      80787-43-5

    References

    • Khan, Gul Shahzada; Dickson, Benjamin D.; Barker, David Tetrahedron, 2012 , vol. 68, # 6 p. 1790 - 1801
  • Route2

    References

    • Krauss, Juergen; Knorr, Veronika; Manhardt, Vera; Scheffels, Stefanie; Bracher, Franz Archiv der Pharmazie, 2008 , vol. 341, # 6 p. 386 - 392
  • Route3
    • Benzyl 3-nitrobenzoate|CS-0777411
      136322-11-7
    • ~%
    • Benzyl 3-aminobenzoate|CS-0258478
      80787-43-5

    References

    • Shonle; Row Journal of the American Chemical Society, 1921 , vol. 43, p. 364

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-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   2.6258
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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