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Diethyl 2-(((1,3-dimethyl-1H-pyrazol-5-yl)amino)methylene)malonate

  • CAS No. 20481-33-8

  • Cat. No. CS-0328358
  • Molecule weight281.31
  • Purity≥97%
  • MDL No.None

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

Diethyl 2-(((1,3-dimethyl-1H-pyrazol-5-yl)amino)methylene)malonate|CS-0328358

Structure of 20481-33-8

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General Information

  • CAS No. 20481-33-8
  • Cat. No. CS-0328358
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₉N₃O₄
  • Molecular Weight 281.31
  • Synonym(s) diethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylidene}malonate
  • SMILES CCOC(=O)C(=CNC1=CC(=NN1C)C)C(=O)OCC

Synthesis

  • Route1

    References

    • Ochiai, Hiroshi; Ishida, Akiharu; Ohtani, Tazumi; Kusumi, Kensuke; Kishikawa, Katuya; Yamamoto, Susumu; Takeda, Hiroshi; Obata, Takaaki; Nakai, Hisao; Toda, Masaaki Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 15 p. 4089 - 4100

Safety Information

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Hazard Statements : N/A
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Computational Chemistry Data

  • TPSA   82.45
  • LogP   1.15052
  • H_Acceptors   7
  • H_Donors   1
  • Rotatable_Bonds   6

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