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CS-W001157 4
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5-Acetyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione

  • CAS No. 58713-03-4

  • Cat. No. CS-0098511
  • Molecule weight198.18
  • Purity≥98%
  • MDL No.None

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

5-Acetyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione|CS-0098511

Structure of 58713-03-4

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General Information

  • CAS No. 58713-03-4
  • Cat. No. CS-0098511
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀N₂O₄
  • Molecular Weight 198.18
  • Synonym(s) 5-Acetyl-1,3-dimethylbarbituric Acid
  • SMILES O=C1N(C)C(C(C(C)=O)C(N1C)=O)=O

Synthesis

  • Route1
    • null|null
      769-42-6
    • null|null
      108-24-7
    • ~91%
    • 5-Acetyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione|CS-0098511
      58713-03-4

    References

    • Jursic, Branko S; Neumann, Donna M Tetrahedron Letters, 2001 , vol. 42, # 48 p. 8435 - 8439
  • Route2
    • null|null
      769-42-6
    • null|null
      75-36-5
    • ~%
    • 5-Acetyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione|CS-0098511
      58713-03-4

    References

    • JOHNS HOPKINS UNIVERSITY; GUTHRIE, Daryl A. Patent: WO2013/59194 A1, 2013 ; Location in patent: Page/Page column 38 ;
  • Route3
    • null|null
      769-42-6
    • null|null
      64-19-7
    • ~%
    • 5-Acetyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione|CS-0098511
      58713-03-4

    References

    • Siddiqui, Zeba N.; Mohammed Musthafa; Ahmad, Anis; Khan, Asad U. Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 10 p. 2860 - 2865

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   74.76
  • LogP   -0.758
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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