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CS-W001157 4
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Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

  • CAS No. 4027-39-8

  • Cat. No. CS-0247002
  • Purity≥98%
  • MDL No.None

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

Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate|CS-0247002

Structure of 4027-39-8

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General Information

  • CAS No. 4027-39-8
  • Cat. No. CS-0247002
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃NO₃
  • Molecular Weight 183.20
  • Synonym(s) 3-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-6-oxo-, ethyl ester
  • SMILES CCOC(C1=C(NC(CC1)=O)C)=O

Synthesis

  • Route1

    References

    • Senthil Kumar; Kumari, Neeta; Luthra, Pratibha Mehta Synthetic Communications, 2013 , vol. 43, # 22 p. 3010 - 3019
  • Route2
    • Ethyl 2-acetyl-4-cyanobutanoate|CS-0206225
      10444-33-4
    • ~%
    • Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate|CS-0247002
      4027-39-8

    References

    • Albertson Journal of the American Chemical Society, 1952 , vol. 74, p. 3816
  • Route3
    • Diethyl 2-acetylglutarate|CS-0074515
      1501-06-0
    • ~%
    • Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate|CS-0247002
      4027-39-8

    References

    • Emery American Chemical Journal, 1891 , vol. 13, p. 352

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.4
  • LogP   0.7335
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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