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CS-W001157 4
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5-(Ethoxycarbonyl)-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid

  • CAS No. 53365-89-2

  • Cat. No. CS-0331852
  • Molecule weight225.24
  • Purity≥98%
  • MDL No.None

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

5-(Ethoxycarbonyl)-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid|CS-0331852

Structure of 53365-89-2

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General Information

  • CAS No. 53365-89-2
  • Cat. No. CS-0331852
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅NO₄
  • Molecular Weight 225.24
  • Synonym(s) ETHYL 5-CARBOXY-4-ETHYL-3-METHYL-2-PYRROLECARBOXYLATE
  • SMILES CCC1=C(C(=O)O)NC(=C1C)C(=O)OCC

Synthesis

  • Route1
    • Ethyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate|CS-W010619
      2199-47-5
    • ~92%
    • 5-(Ethoxycarbonyl)-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid|CS-0331852
      53365-89-2

    References

    • Gould, Stephanie L.; Kodis, Gerdenis; Liddell, Paul A.; Palacios, Rodrigo E.; Brune, Alicia; Gust, Devens; Moore, Thomas A.; Moore, Ana L. Tetrahedron, 2006 , vol. 62, # 9 p. 2074 - 2096
  • Route2
    • null|null
      97336-18-0
    • ~80%
    • 5-(Ethoxycarbonyl)-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid|CS-0331852
      53365-89-2

    References

    • Wijesekera, Tilak P.; Paine, John B.; Dolphin, David Journal of Organic Chemistry, 1985 , vol. 50, # 20 p. 3832 - 3838
  • Route3
    • 3-Ethyl-2,4-pentanedione|CS-0095587
      1540-34-7
    • ~%
    • 5-(Ethoxycarbonyl)-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid|CS-0331852
      53365-89-2

    References

    • Mamardashvili, N. Zh.; Semeikin, A. S.; Golubchikov, O. A. Russian Journal of Organic Chemistry, 1993 , vol. 29, # 6.2 p. 1007 - 1015 Zhurnal Organicheskoi Khimii, 1993 , vol. 29, # 6 p. 1213 - 1223

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H319
Precautionary Statements : P264-P280-P305+P351+P338

Quality Control

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Computational Chemistry Data

  • TPSA   79.39
  • LogP   1.76042
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   4

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