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Methyl 4-oxo-1,4-dihydroquinoline-3-carboxylate

  • CAS No. 61707-79-7

  • Cat. No. CS-0061861
  • Purity≥98%
  • MDL No.MFCD08436132

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

Methyl 4-oxo-1,4-dihydroquinoline-3-carboxylate|CS-0061861

Structure of 61707-79-7

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General Information

  • CAS No. 61707-79-7
  • Cat. No. CS-0061861
  • Purity ≥98%
  • MDL No. MFCD08436132
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₃
  • Molecular Weight 203.19
  • Synonym(s) Methyl 4-oxo-1,4-dihydro-3-quinolinecarboxylate
  • SMILES O=C(C1=CNC2=C(C=CC=C2)C1=O)OC

Description

Methyl 4-oxo-1,4-dihydroquinoline-3-carboxylate features a planar quinoline core with a ketone at C4 and an ester at C3, enabling direct integration into heterocyclic synthesis. This bench-stable scaffold supports diverse functionalization for medicinal chemistry applications.

Application

Methyl 4-oxo-1,4-dihydroquinoline-3-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to quinoline-based scaffolds. Its electrophilic C3 carbonyl and enolizable C4 position facilitate nucleophilic additions, condensations, and cyclizations under mild conditions. The methyl ester group supports selective transformations, while the scaffold exhibits bench stability and compatibility with standard purification protocols, making it suitable for medicinal chemistry campaigns and process development.

Synthesis

  • Route1
    • null|null
      133530-05-9
    • ~90%
    • In-stock
      Methyl 4-oxo-1,4-dihydroquinoline-3-carboxylate|CS-0061861
      61707-79-7

    References

    • Torii, Sigeni; Okumoto, Hiroshi; Xu, Long He Tetrahedron, 1991 , vol. 47, # 4-5 p. 665 - 674
  • Route2
    • null|null
      38113-64-3
    • ~%
    • In-stock
      Methyl 4-oxo-1,4-dihydroquinoline-3-carboxylate|CS-0061861
      61707-79-7

    References

    • Torii, Sigeni; Okumoto, Hiroshi; Xu, Long He Tetrahedron, 1991 , vol. 47, # 4-5 p. 665 - 674
  • Route3
    • null|null
      62985-19-7
    • ~%
    • In-stock
      Methyl 4-oxo-1,4-dihydroquinoline-3-carboxylate|CS-0061861
      61707-79-7

    References

    • Torii, Sigeni; Okumoto, Hiroshi; Xu, Long He Tetrahedron, 1991 , vol. 47, # 4-5 p. 665 - 674

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   59.16
  • LogP   1.3147
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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