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CS-W001157 4
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Diethyl 1H-imidazole-2,4-dicarboxylate

  • CAS No. 86724-13-2

  • Cat. No. CS-0466648
  • Molecule weight212.20
  • Purity≥98%
  • MDL No.MFCD26383096

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

Diethyl 1H-imidazole-2,4-dicarboxylate|CS-0466648

Structure of 86724-13-2

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General Information

  • CAS No. 86724-13-2
  • Cat. No. CS-0466648
  • Purity ≥98%
  • MDL No. MFCD26383096
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂N₂O₄
  • Molecular Weight 212.20
  • Synonym(s) 1H-Imidazole-2,4-dicarboxylic acid, diethyl ester
  • SMILES CCOC(=O)C1=CNC(=N1)C(=O)OCC

Synthesis

  • Route1

    References

    • Rhone-Poulenc Rorer S.A. Patent: US5726175 A1, 1998 ;
  • Route2
    • Ethyl α-amino-α-cyanoacetate|CS-0016862
      32683-02-6
    • ~%
    • Diethyl 1H-imidazole-2,4-dicarboxylate|CS-0466648
      86724-13-2

    References

    • Brown, Tom; Shaw, Gordon; Durant, Graham J. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1983 , p. 809 - 812
  • Route3
    • null|null
      86724-12-1
    • ~%
    • Diethyl 1H-imidazole-2,4-dicarboxylate|CS-0466648
      86724-13-2

    References

    • Brown, Tom; Shaw, Gordon; Durant, Graham J. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1983 , p. 809 - 812

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   81.28
  • LogP   0.7631
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   4

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