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CS-W001157 4
Total: USD 88.00

6,7-Dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonitrile

  • CAS No. 18029-60-2

  • Cat. No. CS-0160602
  • Molecule weight230.22
  • Purity≥97%
  • MDL No.MFCD27946353

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

6,7-Dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonitrile|CS-0160602

Structure of 18029-60-2

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General Information

  • CAS No. 18029-60-2
  • Cat. No. CS-0160602
  • Purity ≥97%
  • MDL No. MFCD27946353
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀N₂O₃
  • Molecular Weight 230.22
  • Synonym(s) 6,7-dimethoxy-1-oxo-2H-isoquinoline-4-carbonitrile
  • SMILES N#CC(C1=C2C=C(OC)C(OC)=C1)=CNC2=O

Synthesis

  • Route1
    • null|null
      18029-59-9
    • ~50%
    • 6,7-Dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonitrile|CS-0160602
      18029-60-2

    References

    • F. HOFFMANN-LA ROCHE AG Patent: WO2004/101528 A2, 2004 ; Location in patent: Page 225; 226 ;
  • Route2

    References

    • Qian, Yimin; Ahmad, Mushtaq; Chen, Shaoqing; Gillespie, Paul; Le, Nam; Mennona, Frank; Mischke, Steven; So, Sung-Sau; Wang, Hong; Burghardt Charles; Tannu, Shahid; Conde-Knape, Karin; Kochan, Jarema; Bolin, David Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 21 p. 6264 - 6269

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   75.11
  • LogP   1.41698
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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