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Methyl (E)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate

  • CAS No. 149968-11-6

  • Cat. No. CS-0006588
  • Purity≥97%
  • MDL No.MFCD08063844

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

Methyl (E)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate|CS-0006588

Structure of 149968-11-6

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General Information

  • CAS No. 149968-11-6
  • Cat. No. CS-0006588
  • Purity ≥97%
  • MDL No. MFCD08063844
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₈H₂₂ClNO₃
  • Molecular Weight 455.93
  • Synonym(s) METHYL 2-(3-{(E)-3-[2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL}-3-OXOPROPYL)BENZOATE
  • SMILES O=C(C1=CC=CC=C1CCC(C2=CC=CC(/C=C/C3=CC=C4C=CC(Cl)=CC4=N3)=C2)=O)OC

Synthesis

  • Route1

    References

    • GLADE ORGANICS PRIVATE LIMITED Patent: WO2006/131782 A1, 2006 ; Location in patent: Page/Page column 5 ;
  • Route2
    • null|null
      878007-05-7
    • ~%
    • null|null
      1024634-12-5
    • Methyl (E)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate|CS-0006588
      149968-11-6

    References

    • WO2006/21974 A1, ; Page/Page column 23-24 ;
  • Route3
    • null|null
      177748-00-4
    • null|null
      165896-48-0
    • ~91%
    • Methyl (E)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate|CS-0006588
      149968-11-6

    References

    • Larsen, Robert D.; Corley, Edward G.; King, Anthony O.; Carroll, James D.; Davis, Paul; Verhoeven, Thomas R.; Reider, Paul J.; Labelle, Marc; Gauthier, Jacques Y.; Xiang, Yi Bin; Zamboni, Robert J. Journal of Organic Chemistry, 1996 , vol. 61, # 10 p. 3398 - 3405

Safety Information

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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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   56.26
  • LogP   6.6607
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   7

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