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CS-W001157 4
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Methyl 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

  • CAS No. 134074-33-2

  • Cat. No. CS-0328925
  • Molecule weight307.33
  • Purity≥98%
  • MDL No.None

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

Methyl 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate|CS-0328925

Structure of 134074-33-2

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General Information

  • CAS No. 134074-33-2
  • Cat. No. CS-0328925
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₃N₃O₄S
  • Molecular Weight 307.33
  • Synonym(s) None
  • SMILES CC1=C(C(OC)=O)C(NC(N1)=S)C2=CC=CC([N+]([O-])=O)=C2

Synthesis

  • Route1
    • 3-Nitrobenzaldehyde Erlotinib Impurity|CS-0204123
      99-61-6
    • In-stock
      Methyl acetylacetate|CS-0017265
      105-45-3
    • null|null
      17356-08-0
    • ~94%
    • Methyl 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate|CS-0328925
      134074-33-2

    References

    • Liu, Qingjian; Pan, Ning; Xu, Jiehua; Zhang, Wenwen; Kong, Fanpeng Synthetic Communications, 2013 , vol. 43, # 1 p. 139 - 146

Safety Information

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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   93.5
  • LogP   1.5606
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   3

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