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CS-W001157 4
Total: USD 88.00

7,7-Dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid

  • CAS No. 106551-79-5

  • Cat. No. CS-0077293
  • Molecule weight235.24
  • Purity95+%
  • MDL No.MFCD08692072

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

7,7-Dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid|CS-0077293

Structure of 106551-79-5

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General Information

  • CAS No. 106551-79-5
  • Cat. No. CS-0077293
  • Purity 95+%
  • MDL No. MFCD08692072
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃NO₄
  • Molecular Weight 235.24
  • Synonym(s) 7,7-Dimethyl-1,2,5,6,7,8-hexahydro-2,5-dioxo-3-quinolinecarboxylic acid
  • SMILES O=C1NC2=C(C(CC(C)(C)C2)=O)C=C1C(O)=O

Synthesis

  • Route1
    • 7,7-Dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide|CS-0069922
      84548-19-6
    • ~91%
    • 7,7-Dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid|CS-0077293
      106551-79-5

    References

    • Mosti, Luisa; Schenone, Pietro; Menozzi, Giulia Journal of Heterocyclic Chemistry, 1985 , vol. 22, p. 1503 - 1509
  • Route2
    • Methyl 7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate|CS-0069921
      650597-76-5
    • ~%
    • 7,7-Dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid|CS-0077293
      106551-79-5

    References

    • Fossa, Paola; Menozzi, Giulia; Dorigo, Paola; Floreani, Maura; Mosti, Luisa Bioorganic and Medicinal Chemistry, 2003 , vol. 11, # 22 p. 4749 - 4759
  • Route3
    • 2-((Dimethylamino)methylene)-5,5-dimethylcyclohexane-1,3-dione|CS-0455489
      75039-59-7
    • ~%
    • 7,7-Dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid|CS-0077293
      106551-79-5

    References

    • Mosti, Luisa; Schenone, Pietro; Menozzi, Giulia Journal of Heterocyclic Chemistry, 1985 , vol. 22, p. 1503 - 1509

Safety Information

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Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   87.23
  • LogP   1.2282
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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