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CS-W001157 4
Total: USD 88.00

3-(5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid

  • CAS No. 37789-64-3

  • Cat. No. CS-0323322
  • Purity≥97%
  • MDL No.None

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

3-(5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid|CS-0323322

Structure of 37789-64-3

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General Information

  • CAS No. 37789-64-3
  • Cat. No. CS-0323322
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₇NO₄
  • Molecular Weight 239.27
  • Synonym(s) 4-(2-Carboxy-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
  • SMILES CCOC(=O)C1=C(C)C(=C(C)N1)CCC(=O)O

Synthesis

  • Route1
    • null|null
      52649-02-2
    • ~88%
    • 3-(5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid|CS-0323322
      37789-64-3

    References

    • Woodward, Robert Burns; Ayer, William A.; Beaton, John M.; Bickelhaupt, Friedrich; Bonnett, Raymond; Buchschacher, Paul; Closs, Gerhard L.; Dutler, Hans; Hannah, John; Hauck, Fred P.; Ito, Sho; Langemann, Albert; Le Goff, Eugene; Leimgruber, Willy; Lwowski, Walter; Sauer, Juergen; Valenta, Zdenek; Volz, Heinrich Tetrahedron, 1990 , vol. 46, # 22 p. 7599 - 7659
  • Route2

    References

    • Boiadjiev, Stefan E.; Lightner, David A. Tetrahedron Asymmetry, 1997 , vol. 8, # 21 p. 3603 - 3615
  • Route3
    • null|null
      54605-46-8
    • Diethyl 2-(hydroxyimino)malonate|CS-0132351
      6829-41-0
    • ~%
    • 3-(5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid|CS-0323322
      37789-64-3

    References

    • Kleinspehn Journal of the American Chemical Society, 1955 , vol. 77, p. 1546

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   79.39
  • LogP   1.82544
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   5

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