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CS-W001157 4
Total: USD 88.00

3,5-Dimethylpyrimidine-2,4(1H,3H)-dione

  • CAS No. 4160-77-4

  • Cat. No. CS-0452393
  • Purity≥98%
  • MDL No.None

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

3,5-Dimethylpyrimidine-2,4(1H,3H)-dione|CS-0452393

Structure of 4160-77-4

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General Information

  • CAS No. 4160-77-4
  • Cat. No. CS-0452393
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈N₂O₂
  • Molecular Weight 140.14
  • Synonym(s) 3-Methylthymine
  • SMILES CC1=CNC(N(C1=O)C)=O

Synthesis

  • Route1
    • null|null
      27460-05-5
    • ~94%
    • 3,5-Dimethylpyrimidine-2,4(1H,3H)-dione|CS-0452393
      4160-77-4

    References

    • Gambacorta, Augusto; Farah, Mohamed Elmi; Tofani, Daniela Tetrahedron, 1999 , vol. 55, # 43 p. 12615 - 12628
  • Route2
    • null|null
      84941-50-4
    • ~91%
    • 3,5-Dimethylpyrimidine-2,4(1H,3H)-dione|CS-0452393
      4160-77-4

    References

    • Breeger, Sascha; Von Meltzer, Martin; Hennecke, Ulrich; Carell, Thomas Chemistry - A European Journal, 2006 , vol. 12, # 25 p. 6469 - 6477
  • Route3
    • Thymine Zidovudine Impurity|CS-0229730
      65-71-4
    • null|null
      77-78-1
    • ~5%
    • 3,5-Dimethylpyrimidine-2,4(1H,3H)-dione|CS-0452393
      4160-77-4
    • 1,5-Dimethylpyrimidine-2,4(1h,3h)-dione|CS-0664964
      4160-72-9
    • 1,3,5-Trimethylpyrimidine-2,4(1H,3H)-dione|CS-0144182
      4401-71-2

    References

    • Gambacorta, Augusto; Tofani, Daniela; Loreto, Maria Antonietta; Gasperi, Tecla; Bernini, Roberta Tetrahedron, 2006 , vol. 62, # 29 p. 6848 - 6854

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   54.86
  • LogP   -0.61798
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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