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CS-W001157 4
Total: USD 88.00

Ethyl 4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2-carboxylate

  • CAS No. 40106-36-3

  • Cat. No. CS-0556290
  • Molecule weight278.33
  • Purity≥98%
  • MDL No.None

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

Ethyl 4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2-carboxylate|CS-0556290

Structure of 40106-36-3

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General Information

  • CAS No. 40106-36-3
  • Cat. No. CS-0556290
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄N₂O₃S
  • Molecular Weight 278.33
  • Synonym(s) 2-Ethoxycarbonyl-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-D)pyrimidin-4-one
  • SMILES CCOC(=O)C1=NC2=C(C3=C(S2)CCCC3)C(=O)N1

Synthesis

  • Route1

    References

    • Shishoo, C. J.; Devani, M. B.; Pathak, U. S.; Ananthan, S.; Bhadti, V. S.; et al. Journal of Heterocyclic Chemistry, 1984 , vol. 21, p. 375 - 380
  • Route2
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    • Ethyl 4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2-carboxylate|CS-0556290
      40106-36-3

    References

    • Temple; Yevich; Covington; Hanning; Seidehamel; Mackey; Bartek Journal of Medicinal Chemistry, 1979 , vol. 22, # 5 p. 505 - 510
  • Route3

    References

    • Arya,V.P. Indian Journal of Chemistry, 1972 , vol. 10, p. 1141 - 1150

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   72.05
  • LogP   2.0401
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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