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CS-W001157 4
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Ethyl 4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

  • CAS No. 38026-46-9

  • Cat. No. CS-B0229
  • Purity≥96%
  • MDL No.MFCD01080781

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

Ethyl 4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate|CS-B0229

Structure of 38026-46-9

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General Information

  • CAS No. 38026-46-9
  • Cat. No. CS-B0229
  • Purity ≥96%
  • MDL No. MFCD01080781
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈N₂O₃S
  • Molecular Weight 200.22
  • Synonym(s) Ethyl 2-Thiouracil-5-Carboxylate
  • SMILES S=C1NC=C(C(OCC)=O)C(N1)=O

Synthesis

  • Route1
    • Ethyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate  Avanafil Impurity|CS-0166957
      53554-29-3
    • ~74%
    • In-stock
      Ethyl 4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate|CS-B0229
      38026-46-9

    References

    • Landreau; Deniaud; Reliquet; Meslin Journal of Heterocyclic Chemistry, 2001 , vol. 38, # 1 p. 93 - 98
  • Route2
    • null|null
      33142-25-5
    • null|null
      17356-08-0
    • ~%
    • In-stock
      Ethyl 4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate|CS-B0229
      38026-46-9

    References

    • Anderson et al. Journal of the American Chemical Society, 1945 , vol. 67, p. 2197,2200
  • Route3
    • null|null
      17356-08-0
    • In-stock
      Diethyl 2-(ethoxymethylene)malonate|CS-0019402
      87-13-8
    • ~%
    • In-stock
      Ethyl 4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate|CS-B0229
      38026-46-9

    References

    • Ballard; Johnson Journal of the American Chemical Society, 1942 , vol. 64, p. 794,797

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   74.95
  • LogP   0.60919
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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