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

  • CAS No. 5463-44-5

  • Cat. No. CS-0558737
  • Molecule weight212.20
  • Purity≥98%
  • MDL No.None

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

Ethyl 3,5-dimethyl-4-nitro-1H-pyrrole-2-carboxylate|CS-0558737

Structure of 5463-44-5

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General Information

  • CAS No. 5463-44-5
  • Cat. No. CS-0558737
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂N₂O₄
  • Molecular Weight 212.20
  • Synonym(s) 1H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-4-nitro-, ethyl ester
  • SMILES CCOC(=O)C1=C(C(=C(N1)C)[N+](=O)[O-])C

Synthesis

  • Route1

    References

    • Onda, Hiroyuki; Toi, Hiroo; Aoyama, Yasuhiro; Ogoshi, Hisanobu Tetrahedron Letters, 1985 , vol. 26, # 35 p. 4221 - 4224
  • Route2
    • Ethyl 4-iodo-3,5-dimethyl-1H-pyrrole-2-carboxylate|CS-0510509
      5408-08-2
    • ~%
    • Ethyl 3,5-dimethyl-4-nitro-1H-pyrrole-2-carboxylate|CS-0558737
      5463-44-5

    References

    • Treibs; Kolm Justus Liebigs Annalen der Chemie, 1958 , vol. 614, p. 176,195
  • Route3
    • Ethyl 4-acetyl-3,5-dimethyl-1h-pyrrole-2-carboxylate|CS-0298816
      2386-26-7
    • ~%
    • Ethyl 3,5-dimethyl-4-nitro-1H-pyrrole-2-carboxylate|CS-0558737
      5463-44-5

    References

    • Fischer; Zerweck Chemische Berichte, 1922 , vol. 55, p. 1949 Chemische Berichte, 1923 , vol. 56, p. 520,523

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

Quality Control

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Computational Chemistry Data

  • TPSA   85.23
  • LogP   1.71644
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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