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CS-W001157 4
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5-(Ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid

  • CAS No. 952569-58-3

  • Cat. No. CS-0151762
  • Purity≥98%
  • MDL No.MFCD05863424

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

5-(Ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid|CS-0151762

Structure of 952569-58-3

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General Information

  • CAS No. 952569-58-3
  • Cat. No. CS-0151762
  • Purity ≥98%
  • MDL No. MFCD05863424
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₄
  • Molecular Weight 183.16
  • Synonym(s) 1H-Pyrrole-2,5-dicarboxylic acid 2-ethyl ester
  • SMILES CCOC(=O)C1=CC=C(C(=O)O)N1

Synthesis

  • Route1

    References

    • WO2011/14817 A1, ; Page/Page column 90; 91 ; WO 2011/014817 A1
  • Route2
    • null|null
      1414887-03-8
    • ~50%
    • 5-(Ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid|CS-0151762
      952569-58-3

    References

    • Kondratov, Ivan S.; Dolovanyuk, Violetta G.; Tolmachova, Nataliya A.; Gerus, Igor I.; Bergander, Klaus; Froehlich, Roland; Haufe, Guenter Organic and Biomolecular Chemistry, 2012 , vol. 10, # 44 p. 8778 - 8785
  • Route3

    References

    • WO2011/14817 A1, ; WO 2011/014817 A1

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   79.39
  • LogP   0.8896
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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