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CS-W001157 4
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Methyl 2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate

  • CAS No. 139481-28-0

  • Cat. No. CS-0150896
  • Purity≥97%
  • MDL No.MFCD09029084

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

Methyl 2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate|CS-0150896

Structure of 139481-28-0

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General Information

  • CAS No. 139481-28-0
  • Cat. No. CS-0150896
  • Purity ≥97%
  • MDL No. MFCD09029084
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₂H₁₇N₃O₄
  • Molecular Weight 387.39
  • Synonym(s) methyl-2-[[(2'-cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate
  • SMILES COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])NCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Synthesis

  • Route1
    • null|null
      139481-38-2
    • ~79%
    • In-stock
      Methyl 2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate|CS-0150896
      139481-28-0

    References

    • Kubo, Keiji; Kohara, Yasuhisa; Imamiya, Eiko; Sugiura, Yoshihiro; Inada, Yoshiyuki; et al. Journal of Medicinal Chemistry, 1993 , vol. 36, # 15 p. 2182 - 2195
  • Route2

    References

    • WO2011/145100 A1, ; Page/Page column 5-6 ;
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 36, # 15 p. 2182 - 2195

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   105.26
  • LogP   4.53218
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   6

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