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CS-W001157 4
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2-((6-Chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile Alogliptin Impurity

  • CAS No. 865758-96-9

  • Cat. No. CS-0214037
  • Molecule weight275.69
  • Purity≥98%
  • MDL No.MFCD11558902

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

2-((6-Chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile Alogliptin Impurity|CS-0214037

Structure of 865758-96-9

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General Information

  • CAS No. 865758-96-9
  • Cat. No. CS-0214037
  • Purity ≥98%
  • MDL No. MFCD11558902
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₀ClN₃O₂
  • Molecular Weight 275.69
  • Synonym(s) Benzonitrile,2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-
  • SMILES N#CC1=CC=CC=C1CN(C(N2C)=O)C(Cl)=CC2=O

Synthesis

  • Route1
    • 2-((6-Chloro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)methyl)benzonitrile|CS-M2294
      865758-95-8
    • null|null
      74-88-4
    • ~72%
    • 2-((6-Chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile Alogliptin Impurity|CS-0214037
      865758-96-9

    References

    • Feng, Jun; Gwaltney, Stephen L.; Stafford, Jeffrey A.; Zhang, Zhiyuan; Brodluahrer, Paul R.; Elder, Bruce; Isbester, Paul; Fornicola, Richard S.; Kisanga, Philip B.; Mobele, Bingidimi I.; Palmer, Grant J.; Reeve, Maxwell M.; Salsbury, Jonathon S.; Ulysse, Luckner; Venkatraman, Sripathy Patent: US2009/275750 A1, 2009 ; Location in patent: Page/Page column 22 ; US 20090275750 A1
  • Route2
    • null|null
      74-88-4
    • ~72%
    • 2-((6-Chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile Alogliptin Impurity|CS-0214037
      865758-96-9

    References

    • Andres, Mark; Lorimer, Keith Patent: US2007/66635 A1, 2007 ; Location in patent: Page/Page column 13-14; 14 ;
  • Route3
    • 6-Chloro-3-methyluracil Alogliptin Impurity|CS-0228716
      4318-56-3
    • (2-Cyanophenyl)methyl bromide|CS-W018538
      22115-41-9
    • ~%
    • 2-((6-Chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile Alogliptin Impurity|CS-0214037
      865758-96-9

    References

    • US2009/275750 A1, ; Page/Page column 23 ; US 20090275750 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   67.79
  • LogP   1.12038
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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