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Ethyl 3-(4-(methylamino)-3-nitro-N-(pyridin-2-yl)benzamido)propanoate

  • CAS No. 429659-01-8

  • Cat. No. CS-M2455
  • Purity≥98%
  • MDL No.MFCD09833623

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

Ethyl 3-(4-(methylamino)-3-nitro-N-(pyridin-2-yl)benzamido)propanoate|CS-M2455

Structure of 429659-01-8

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General Information

  • CAS No. 429659-01-8
  • Cat. No. CS-M2455
  • Purity ≥98%
  • MDL No. MFCD09833623
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₂₀N₄O₅
  • Molecular Weight 372.38
  • Synonym(s) ethyl N-[4-(methylamino)-3-nitrobenzoyl]-N-pyridin-2-yl-beta-alaninate
  • SMILES O=C(OCC)CCN(C(C1=CC=C(NC)C([N+]([O-])=O)=C1)=O)C2=NC=CC=C2

Synthesis

  • Route1
    • 4-(Methylamino)-3-nitrobenzoic acid Dabigatran  Impurity|CS-0228895
      41263-74-5
    • ~%
    • In-stock
      Ethyl 3-(4-(methylamino)-3-nitro-N-(pyridin-2-yl)benzamido)propanoate|CS-M2455
      429659-01-8

    References

    • Hauel, Norbert H.; Nar, Herbert; Priepke, Henning; Ries, Uwe; Stassen, Jean-Marie; Wienen, Wolfgang Journal of Medicinal Chemistry, 2002 , vol. 45, # 9 p. 1757 - 1766
  • Route2

    References

    • CADILA HEALTHCARE LIMITED; DWIVEDI, Shriprakash Dhar; SINGH, Ramesh Chandra; RAVAL, Jigar Mukundbhai Patent: WO2013/111163 A2, 2013 ;

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   114.67
  • LogP   2.6315
  • H_Acceptors   7
  • H_Donors   1
  • Rotatable_Bonds   8

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