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CS-W001157 4
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Ethyl 4-iodo-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • CAS No. 5408-08-2

  • Cat. No. CS-0510509
  • Molecule weight293.10
  • Purity≥98%
  • MDL No.None

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

Ethyl 4-iodo-3,5-dimethyl-1H-pyrrole-2-carboxylate|CS-0510509

Structure of 5408-08-2

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General Information

  • CAS No. 5408-08-2
  • Cat. No. CS-0510509
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂INO₂
  • Molecular Weight 293.10
  • Synonym(s) None
  • SMILES O=C(C1=C(C)C(I)=C(C)N1)OCC

Synthesis

  • Route1

    References

    • Monti, Donato; Sleiter, Giancarlo Gazzetta Chimica Italiana, 1990 , vol. 120, p. 771 - 774
  • Route2

    References

    • Fischer; Schubert Justus Liebigs Annalen der Chemie, 1924 , vol. 439, p. 192
  • Route3
    • 5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid|CS-W015061
      5408-10-6
    • ~%
    • Ethyl 4-iodo-3,5-dimethyl-1H-pyrrole-2-carboxylate|CS-0510509
      5408-08-2

    References

    • Chierici Farmaco, Edizione Scientifica, 1952 , vol. 7, p. 618,620

Safety Information

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

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Computational Chemistry Data

  • TPSA   42.09
  • LogP   2.41284
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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