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CS-W001157 4
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Ethyl 1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate

  • CAS No. 98996-29-3

  • Cat. No. CS-0187756
  • Purity≥98%
  • MDL No.None

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

Ethyl 1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate|CS-0187756

Structure of 98996-29-3

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General Information

  • CAS No. 98996-29-3
  • Cat. No. CS-0187756
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₃
  • Molecular Weight 181.19
  • Synonym(s) 4-Pyridinecarboxylic acid, 1,2-dihydro-1-Methyl-2-oxo-, ethyl ester
  • SMILES O=C(C(C=CN1C)=CC1=O)OCC

Description

Ethyl 1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate features a conjugated enone system flanked by a methyl group and an ethyl ester, enabling direct incorporation into heterocyclic scaffolds. This bench-stable, moisture-tolerant reagent facilitates efficient access to bioactive pyridine derivatives through multicomponent coupling reactions.

Application

Ethyl 1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to pyridine-based scaffolds through standard transformations. Its conjugated enone system and ester functionality facilitate nucleophilic addition, Michael reactions, and metal-catalyzed couplings. Bench-stable and readily purified by flash chromatography, it functions reliably in medicinal chemistry campaigns targeting bioactive nitrogen-containing frameworks.

Synthesis

  • Route1
    • Isonicotinic acid Nicotinic Acid  Impurity|CS-0229405
      55-22-1
    • ~%
    • In-stock
      Ethyl 1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate|CS-0187756
      98996-29-3

    References

    • Fronk; Mosher Journal of Organic Chemistry, 1959 , vol. 24, p. 196
  • Route2
    • null|null
      125294-42-0
    • ~%
    • In-stock
      Ethyl 1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate|CS-0187756
      98996-29-3

    References

    • Fronk; Mosher Journal of Organic Chemistry, 1959 , vol. 24, p. 196
  • Route3
    • null|null
      111961-69-4
    • ~%
    • In-stock
      Ethyl 1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate|CS-0187756
      98996-29-3

    References

    • Fronk; Mosher Journal of Organic Chemistry, 1959 , vol. 24, p. 196

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
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

  • TPSA   48.3
  • LogP   0.562
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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