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CS-W001157 4
Total: USD 88.00

5-(4-Chlorophenyl)-6-hydroxypyrimidin-4(1H)-one

  • CAS No. 3979-80-4

  • Cat. No. CS-0503935
  • Molecule weight222.63
  • Purity≥98%
  • MDL No.None

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

5-(4-Chlorophenyl)-6-hydroxypyrimidin-4(1H)-one|CS-0503935

Structure of 3979-80-4

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General Information

  • CAS No. 3979-80-4
  • Cat. No. CS-0503935
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇ClN₂O₂
  • Molecular Weight 222.63
  • Synonym(s) 5-(4-Chlorophenyl)pyrimidine-4,6-diol
  • SMILES O=C1N=CNC(O)=C1C2=CC=C(Cl)C=C2

Synthesis

  • Route1

    References

    • Boss, Christoph; Bolli, Martin; Clozel, Martine; Fischli, Walter; Weller, Thomas Patent: US2003/220359 A1, 2003 ;
  • Route2

    References

    • Matulenko, Mark A.; Paight, Ernest S.; Frey, Robin R.; Gomtsyan, Arthur; DiDomenico Jr., Stanley; Jiang, Meiqun; Lee, Chih-Hung; Stewart, Andrew O.; Yu, Haixia; Kohlhaas, Kathy L.; Alexander, Karen M.; McGaraughty, Steve; Mikusa, Joseph; Marsh, Kennan C.; Muchmore, Steven W.; Jakob, Clarissa L.; Kowaluk, Elizabeth A.; Jarvis, Michael F.; Bhagwat, Shripad S. Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 4 p. 1586 - 1605
  • Route3

    References

    • Matulenko, Mark A.; Paight, Ernest S.; Frey, Robin R.; Gomtsyan, Arthur; DiDomenico Jr., Stanley; Jiang, Meiqun; Lee, Chih-Hung; Stewart, Andrew O.; Yu, Haixia; Kohlhaas, Kathy L.; Alexander, Karen M.; McGaraughty, Steve; Mikusa, Joseph; Marsh, Kennan C.; Muchmore, Steven W.; Jakob, Clarissa L.; Kowaluk, Elizabeth A.; Jarvis, Michael F.; Bhagwat, Shripad S. Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 4 p. 1586 - 1605

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-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

Quality Control

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Computational Chemistry Data

  • TPSA   65.98
  • LogP   1.7959
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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