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CS-W001157 4
Total: USD 88.00

2-(Trifluoromethyl)pyrimidine-4,6-diol

  • CAS No. 672-47-9

  • Cat. No. CS-0020837
  • Purity≥97%
  • MDL No.MFCD02678234

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

2-(Trifluoromethyl)pyrimidine-4,6-diol|CS-0020837

Structure of 672-47-9

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General Information

  • CAS No. 672-47-9
  • Cat. No. CS-0020837
  • Purity ≥97%
  • MDL No. MFCD02678234
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₃F₃N₂O₂
  • Molecular Weight 180.08
  • Synonym(s) 6-Hydroxy-2-(trifluoromethyl)-4(1H)-pyrimidinone; 2-Trifluoromethylpyrimidine-4,6-diol; NSC 52339; 4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
  • SMILES OC1=NC(C(F)(F)F)=NC(O)=C1

Synthesis

  • Route1
    • In-stock
      Malonamide|CS-W011312
      108-13-4
    • null|null
      383-63-1
    • ~44%
    • In-stock
      2-(Trifluoromethyl)pyrimidine-4,6-diol|CS-0020837
      672-47-9

    References

    • Bristol-Myers Squibb Co. Patent: US4963678 A1, 1990 ;
  • Route2

    References

    • WO2011/58478 A1, ; Page/Page column 35 ; WO 2011/058478 A1
  • Route3
    • In-stock
      Trifluoroacetamide|CS-W018487
      354-38-1
    • null|null
      105-53-3
    • ~20%
    • In-stock
      2-(Trifluoromethyl)pyrimidine-4,6-diol|CS-0020837
      672-47-9

    References

    • NOVARTIS AG; NOVARTIS PHARMA GMBH Patent: WO2006/136442 A1, 2006 ; Location in patent: Page/Page column 25-26 ; WO 2006/136442 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.24
  • LogP   0.9066
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   0

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