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Ethyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate

  • CAS No. 150705-10-5

  • Cat. No. CS-0447088
  • Purity≥98%
  • MDL No.None

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

Ethyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate|CS-0447088

Structure of 150705-10-5

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General Information

  • CAS No. 150705-10-5
  • Cat. No. CS-0447088
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₁₇NO₄
  • Molecular Weight 311.33
  • Synonym(s) Ethyl 4-{2,4-dioxo-3-azatricyclo[7.3.1.0 {5,13}]-trideca-1(13),5,7,9,11- pentaen-3-yl}butanoate
  • SMILES CCOC(=O)CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O

Synthesis

  • Route1

    References

    • Escudero, Mercedes Isasmendi; Kremenchuzky, Lautaro D.; Perillo, Isabel A.; Cerecetto, Hugo; Blanco, Maria M. Synthesis, 2011 , # 4 art. no. M06310SS, p. 571 - 576
  • Route2

    References

    • David-Cordonnier, Marie-Helene; Hildebrand, Marie-Paule; Baldeyrou, Brigitte; Lansiaux, Amelie; Keuser, Christoph; Benzschawel, Kerstin; Lemster, Thomas; Pindur, Ulf European Journal of Medicinal Chemistry, 2007 , vol. 42, # 6 p. 752 - 771

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   63.68
  • LogP   2.7791
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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