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CS-W001157 4
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Ethyl 2-(4-oxo-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate

  • CAS No. 40277-49-4

  • Cat. No. CS-0317878
  • Purity≥97%
  • MDL No.None

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

Ethyl 2-(4-oxo-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate|CS-0317878

Structure of 40277-49-4

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General Information

  • CAS No. 40277-49-4
  • Cat. No. CS-0317878
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₆N₂O₃S
  • Molecular Weight 292.35
  • Synonym(s) ethyl (4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetate
  • SMILES CCOC(=O)CN1C=NC2=C(C3=C(CCCC3)S2)C1=O

Synthesis

  • Route1

    References

    • Lou, Jiangping; Liu, Zhen; Li, Yan; Zhou, Mi; Zhang, Zhengxi; Zheng, Shu; Wang, Renxiao; Li, Jian Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 22 p. 6662 - 6666
  • Route2

    References

    • Ghorab, M. M.; Hamide, S. G. Abdel Phosphorus, Sulfur and Silicon and the Related Elements, 1995 , vol. 106, # 1-4 p. 9 - 20
  • Route3

    References

    • Lou, Jiangping; Liu, Zhen; Li, Yan; Zhou, Mi; Zhang, Zhengxi; Zheng, Shu; Wang, Renxiao; Li, Jian Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 22 p. 6662 - 6666

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   61.19
  • LogP   1.8999
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   3

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