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2-((6-Chloro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)methyl)benzonitrile

  • CAS No. 865758-95-8

  • Cat. No. CS-M2294
  • Purity≥95%
  • MDL No.MFCD09907853

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

2-((6-Chloro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)methyl)benzonitrile|CS-M2294

Structure of 865758-95-8

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General Information

  • CAS No. 865758-95-8
  • Cat. No. CS-M2294
  • Purity ≥95%
  • MDL No. MFCD09907853
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₈ClN₃O₂
  • Molecular Weight 261.66
  • Synonym(s) Alogliptin Intermediate2
  • SMILES O=C(C=C(Cl)N1CC2=CC=CC=C2C#N)NC1=O

Synthesis

  • Route1

    References

    • Kodimuthali, Arumugam; Pal, Manojit; Prasunamba, Padala Lakshmi Beilstein Journal of Organic Chemistry, 2010 , vol. 6, art. no. 71
  • Route2

    References

    • Andres, Mark; Lorimer, Keith Patent: US2007/66635 A1, 2007 ; Location in patent: Page/Page column 13; 14 ;

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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   78.65
  • LogP   1.10998
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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