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CS-W001157 4
Total: USD 88.00

Methyl 3-amino-5-iodobenzoate

  • CAS No. 217314-45-9

  • Cat. No. CS-0187486
  • Purity≥97%
  • MDL No.None

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

Methyl 3-amino-5-iodobenzoate|CS-0187486

Structure of 217314-45-9

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General Information

  • CAS No. 217314-45-9
  • Cat. No. CS-0187486
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈INO₂
  • Molecular Weight 277.06
  • Synonym(s) Benzoic acid, 3-amino-5-iodo-, methyl ester
  • SMILES COC(=O)C1=CC(=CC(=C1)N)I

Synthesis

  • Route1
    • Methyl 3-iodo-5-nitrobenzoate|CS-0317712
      50765-19-0
    • ~99%
    • In-stock
      Methyl 3-amino-5-iodobenzoate|CS-0187486
      217314-45-9

    References

    • Stachel, Shawn J.; Coburn, Craig A.; Sankaranarayanan, Sethu; Price, Eric A.; Pietrak, Beth L.; Huang, Qian; Lineberger, Janet; Espeseth, Amy S.; Jin, Lixia; Ellis, Joan; Holloway, M. Katharine; Munshi, Sanjeev; Allison, Timothy; Hazuda, Daria; Simon, Adam J.; Graham, Samuel L.; Vacca, Joseph P. Journal of Medicinal Chemistry, 2006 , vol. 49, # 21 p. 6147 - 6150
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 49, # 21 p. 6147 - 6150
  • Route3
    • 3-Iodo-5-nitrobenzoic acid|CS-0053745
      6313-17-3
    • ~%
    • In-stock
      Methyl 3-amino-5-iodobenzoate|CS-0187486
      217314-45-9

    References

    • Journal of Medicinal Chemistry, , vol. 16, p. 684 - 687

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   1.66
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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