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Ethyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyrimidine-5-carboxylate

  • CAS No. 154934-97-1

  • Cat. No. CS-0063212
  • Purity≥97%
  • MDL No.MFCD12547939

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

Ethyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyrimidine-5-carboxylate|CS-0063212

Structure of 154934-97-1

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General Information

  • CAS No. 154934-97-1
  • Cat. No. CS-0063212
  • Purity ≥97%
  • MDL No. MFCD12547939
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇F₃N₂O₃
  • Molecular Weight 236.15
  • Synonym(s) Ethyl 2-oxo-4-(trifluoromethyl)-1,2-dihydropyrimidine-5-carboxylate
  • SMILES O=C(C1=C(C(F)(F)F)NC(N=C1)=O)OCC

Synthesis

  • Route1
    • null|null
      122-51-0
    • null|null
      372-31-6
    • In-stock
      Urea|CS-B1800
      57-13-6
    • ~69%
    • In-stock
      Ethyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyrimidine-5-carboxylate|CS-0063212
      154934-97-1

    References

    • LONZA AG Patent: WO2006/48297 A1, 2006 ; Location in patent: Page/Page column 5; 6 ;
  • Route2

    References

    • Palanki; Erdman; Gayo-Fung; Shevlin; Sullivan; Goldman; Ransone; Bennett; Manning; Suto Journal of medicinal chemistry, 2000 , vol. 43, # 21 p. 3995 - 4004
  • Route3
    • Ethyl 4,4,4-trifluoro-3-oxo-2-(ureidomethylene)butanoate|CS-1081438
      2924-80-3
    • ~%
    • In-stock
      Ethyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyrimidine-5-carboxylate|CS-0063212
      154934-97-1

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 12, # 18 p. 2573 - 2577

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

Quality Control

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Computational Chemistry Data

  • TPSA   72.05
  • LogP   0.9654
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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