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CS-W001157 4
Total: USD 88.00

ethyl 3-cyano-4-oxo-1,4-dihydroquinoline-6-carboxylate

  • CAS No. 872577-50-9

  • Cat. No. CS-0001159
  • Purity≥98%
  • MDL No.None

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

ethyl 3-cyano-4-oxo-1,4-dihydroquinoline-6-carboxylate|CS-0001159

Structure of 872577-50-9

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General Information

  • CAS No. 872577-50-9
  • Cat. No. CS-0001159
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₀N₂O₃
  • Molecular Weight 242.23
  • Synonym(s) 6-Quinolinecarboxylic acid, 3-cyano-1,4-dihydro-4-oxo-, ethyl ester
  • SMILES N#CC1=CNC2=C(C=C(C=C2)C(OCC)=O)C1=O

Synthesis

  • Route1
    • null|null
      717837-86-0
    • ~87%
    • ethyl 3-cyano-4-oxo-1,4-dihydroquinoline-6-carboxylate|CS-0001159
      872577-50-9

    References

    • Chen, Li; Chen, Shaoqing; Michoud, Christophe Patent: US2006/4046 A1, 2006 ; Location in patent: Page/Page column 35 ; US 20060004046 A1

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

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Computational Chemistry Data

  • TPSA   82.95
  • LogP   1.57648
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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