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CS-W001157 4
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Diethyl 2-(methylthio)pyrimidine-4,5-dicarboxylate

  • CAS No. 149771-08-4

  • Cat. No. CS-0463920
  • Molecule weight270.30
  • Purity≥98%
  • MDL No.MFCD14585002

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

Diethyl 2-(methylthio)pyrimidine-4,5-dicarboxylate|CS-0463920

Structure of 149771-08-4

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General Information

  • CAS No. 149771-08-4
  • Cat. No. CS-0463920
  • Purity ≥98%
  • MDL No. MFCD14585002
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄N₂O₄S
  • Molecular Weight 270.30
  • Synonym(s) Diethyl 2-(methylthio)-4,5-pyrimidinedicarboxylate
  • SMILES CCOC(=O)C1=CN=C(N=C1C(=O)OCC)SC

Synthesis

  • Route1
    • Ethyl 4-chloro-2-(methylthio)pyrimidine-5-carboxylate Avanafil  Impurity|CS-0228709
      5909-24-0
    • null|null
      64-17-5
    • null|null
      201230-82-2
    • ~89%
    • Diethyl 2-(methylthio)pyrimidine-4,5-dicarboxylate|CS-0463920
      149771-08-4

    References

    • TIBOTEC PHARMACEUTICALS LTD. Patent: WO2004/96807 A2, 2004 ; Location in patent: Page 70 ;
  • Route2

    References

    • Medicinal Chemistry Research, , vol. 10, # 1 p. 19 - 29

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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   78.38
  • LogP   1.5519
  • H_Acceptors   7
  • H_Donors   0
  • Rotatable_Bonds   5

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