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CS-W001157 4
Total: USD 88.00

Ethyl 4-cyano-2,5-dimethyl-1H-pyrrole-3-carboxylate

  • CAS No. 67271-63-0

  • Cat. No. CS-0573205
  • Purity≥98%
  • MDL No.None

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

Ethyl 4-cyano-2,5-dimethyl-1H-pyrrole-3-carboxylate|CS-0573205

Structure of 67271-63-0

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General Information

  • CAS No. 67271-63-0
  • Cat. No. CS-0573205
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂N₂O₂
  • Molecular Weight 192.21
  • Synonym(s) 1H-Pyrrole-3-carboxylicacid,4-cyano-2,5-dimethyl-,ethylester(9CI)
  • SMILES CCOC(=O)C1=C(NC(=C1C#N)C)C

Synthesis

  • Route1
    • null|null
      67271-61-8
    • ~%
    • Ethyl 4-cyano-2,5-dimethyl-1H-pyrrole-3-carboxylate|CS-0573205
      67271-63-0

    References

    • Bilton; Linstead Journal of the Chemical Society, 1937 , p. 922,928
  • Route2
    • null|null
      98488-14-3
    • ~%
    • Ethyl 4-cyano-2,5-dimethyl-1H-pyrrole-3-carboxylate|CS-0573205
      67271-63-0

    References

    • Bilton; Linstead Journal of the Chemical Society, 1937 , p. 922,928
  • Route3
    • null|null
      3613-35-2
    • ~%
    • Ethyl 4-cyano-2,5-dimethyl-1H-pyrrole-3-carboxylate|CS-0573205
      67271-63-0

    References

    • Brignell,P.J. et al. Journal of the Chemical Society, 1963 , p. 4819 - 4827

Safety Information

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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   65.88
  • LogP   1.67992
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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