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CS-W001157 4
Total: USD 88.00

1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione

  • CAS No. 830346-47-9

  • Cat. No. CS-0161967
  • Purity≥98%
  • MDL No.MFCD12546645

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

1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione|CS-0161967

Structure of 830346-47-9

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General Information

  • CAS No. 830346-47-9
  • Cat. No. CS-0161967
  • Purity ≥98%
  • MDL No. MFCD12546645
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₀F₄N₂O₂
  • Molecular Weight None
  • Synonym(s) elagolix intermediate 4
  • SMILES O=C1NC(C=C(C)N1CC2=C(C(F)(F)F)C=CC=C2F)=O

Synthesis

  • Route1
    • null|null
      674-82-8
    • In-stock
      1-(2-Fluoro-6-(trifluoromethyl)benzyl)urea|CS-0033523
      830346-46-8
    • ~80%
    • In-stock
      1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione|CS-0161967
      830346-47-9

    References

    • Chen, Chen; Wu, Dongpei; Guo, Zhiqiang; Xie, Qiu; Reinhart, Greg J.; Madan, Ajay; Wen, Jenny; Chen, Takung; Huang, Charles Q.; Chen, Mi; Chen, Yongsheng; Tucci, Fabio C.; Rowbottom, Martin; Pontillo, Joseph; Zhu, Yun-Fei; Wade, Warren; Saunders, John; Bozigian, Haig; Struthers, R. Scott Journal of Medicinal Chemistry, 2008 , vol. 51, # 23 p. 7478 - 7485
  • Route2

    References

    • NEUROCRINE BIOSCIENCES, INC. Patent: WO2009/62087 A1, 2009 ; Location in patent: Page/Page column 8 ; WO 2009/062087 A1
  • Route3
    • null|null
      674-82-8
    • null|null
      75-77-4
    • In-stock
      1-(2-Fluoro-6-(trifluoromethyl)benzyl)urea|CS-0033523
      830346-46-8
    • ~%
    • In-stock
      1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione|CS-0161967
      830346-47-9

    References

    • NEUROCRINE BIOSCIENCES, INC. Patent: WO2005/7633 A1, 2005 ; Location in patent: Page 38 ; WO 2005/007633 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 : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.86
  • LogP   2.05122
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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