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CS-W001157 4
Total: USD 88.00

5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

  • CAS No. 5408-10-6

  • Cat. No. CS-W015061
  • Purity≥95%
  • MDL No.None

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

5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid|CS-W015061

Structure of 5408-10-6

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General Information

  • CAS No. 5408-10-6
  • Cat. No. CS-W015061
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO₄
  • Molecular Weight 211.22
  • Synonym(s) 5-(ethoxycarbonyl)-2,4-dimethylpyrrole-3-carboxylic acid
  • SMILES O=C(C1=C(C)NC(C(OCC)=O)=C1C)O

Synthesis

  • Route1
    • null|null
      312510-33-1
    • ~%
    • 5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid|CS-W015061
      5408-10-6

    References

    • MacDonald Journal of the Chemical Society, 1952 , p. 4176,4182
  • Route2

    References

    • Fischer; Walach Chemische Berichte, 1925 , vol. 58, p. 2820 Justus Liebigs Annalen der Chemie, 1926 , vol. 447, p. 44
  • Route3

    References

    • Treibs et al. Chemische Berichte, 1957 , vol. 90, p. 79,81

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-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   79.39
  • LogP   1.50644
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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