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CS-W001157 4
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7-isopropoxy-6-methoxy-4-oxo-1,4-dihydroquinoline-3-carbonitrile

  • CAS No. 319492-96-1

  • Cat. No. CS-0001195
  • Molecule weight258.27
  • Purity≥98%
  • MDL No.None

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

7-isopropoxy-6-methoxy-4-oxo-1,4-dihydroquinoline-3-carbonitrile|CS-0001195

Structure of 319492-96-1

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General Information

  • CAS No. 319492-96-1
  • Cat. No. CS-0001195
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₄N₂O₃
  • Molecular Weight 258.27
  • Synonym(s) 3-Quinolinecarbonitrile,1,4-dihydro-6-methoxy-7-(1-methylethoxy)-4-oxo
  • SMILES N#CC1=CNC2=C(C=C(C(OC(C)C)=C2)OC)C1=O

Synthesis

  • Route1
    • null|null
      1043904-24-0
    • ~91%
    • 7-isopropoxy-6-methoxy-4-oxo-1,4-dihydroquinoline-3-carbonitrile|CS-0001195
      319492-96-1

    References

    • Cao, Xin; You, Qi-Dong; Li, Zhi-Yu; Yang, Yan; Wang, Xiao-Jian Synthetic Communications, 2009 , vol. 39, # 24 p. 4375 - 4383
  • Route2

    References

    • Wang, Yanong D.; Miller, Karen; Boschelli, Diane H.; Ye, Fei; Wu, Biqi; Floyd; Powell, Dennis W.; Wissner, Allan; Weber, Jennifer M.; Boschelli, Frank Bioorganic and Medicinal Chemistry Letters, 2000 , vol. 10, # 21 p. 2477 - 2480
  • Route3
    • methyl 4-isopropoxy-3-methoxybenzoate|CS-0005788
      3535-27-1
    • ~%
    • 7-isopropoxy-6-methoxy-4-oxo-1,4-dihydroquinoline-3-carbonitrile|CS-0001195
      319492-96-1

    References

    • Wang, Yanong D.; Miller, Karen; Boschelli, Diane H.; Ye, Fei; Wu, Biqi; Floyd; Powell, Dennis W.; Wissner, Allan; Weber, Jennifer M.; Boschelli, Frank Bioorganic and Medicinal Chemistry Letters, 2000 , vol. 10, # 21 p. 2477 - 2480

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
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   75.11
  • LogP   2.19558
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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