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CS-W001157 4
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6-Chloropyrimidine-2,4(1H,3H)-dione Sitagliptin Impurity

  • CAS No. 4270-27-3

  • Cat. No. CS-0167420
  • Purity≥97%
  • MDL No.MFCD00014595

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

6-Chloropyrimidine-2,4(1H,3H)-dione  Sitagliptin Impurity|CS-0167420

Structure of 4270-27-3

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General Information

  • CAS No. 4270-27-3
  • Cat. No. CS-0167420
  • Purity ≥97%
  • MDL No. MFCD00014595
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₃ClN₂O₂
  • Molecular Weight 146.53
  • Synonym(s) 6-chloropyrimidine-2,4(1H,3H)-dione; 6-Chlorouracil
  • SMILES ClC(NC(N1)=O)=CC1=O

Synthesis

  • Route1

    References

    • Raoof, Ali; Depledge, Paul; Hamilton, Niall M.; Hamilton, Nicola S.; Hitchin, James R.; Hopkins, Gemma V.; Jordan, Allan M.; Maguire, Laura A.; McGonagle, Alison E.; Mould, Daniel P.; Rushbrooke, Mathew; Small, Helen F.; Smith, Kate M.; Thomson, Graeme J.; Turlais, Fabrice; Waddell, Ian D.; Waszkowycz, Bohdan; Watson, Amanda J.; Ogilvie, Donald J. Journal of Medicinal Chemistry, 2013 , vol. 56, # 16 p. 6352 - 6370
  • Route2

    References

    • Iwata, Masaki; Bruice, Thomas C.; Carrell, H. L.; Glusker, Jenny P, Journal of the American Chemical Society, 1980 , vol. 102, # 15 p. 5036 - 5044
  • Route3
    • null|null
      67-52-7
    • ~%
    • 6-Chloropyrimidine-2,4(1H,3H)-dione  Sitagliptin Impurity|CS-0167420
      4270-27-3

    References

    • Todorovic, Nick; Giacomelli, Andrew; Hassell, John A.; Frampton, Christopher S.; Capretta, Alfredo Tetrahedron Letters, 2010 , vol. 51, # 46 p. 6037 - 6040

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   65.72
  • LogP   -0.2834
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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