(E)-N,N-dimethyl-N’-(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)formimidamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: (E)-N,N-dimethyl-N’-(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)formimidamide
• 英文别名: N,N-dimethyl-N'-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)methanimidamide
• 化学式: C₁₃H₁₆N₄S
• 分子量: 260.363
• InChiKey: WRXNGYRJZAVWTA-LZYBPNLTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  69.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (E)-N,N-dimethyl-N’-(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)formimidamide 、 2-(4-硝基苯基)乙酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以91%的产率得到3-(4-nitrophenyl)-9,10,11,12-tetrahydro-4H-benzo[4,5]thieno[3,2-e]pyrimido[1,2-c]pyrimidin-4-one
  参考文献：
  名称：

  Convenient Synthesis of Novel Phenylpyrimido[1,2-c]thienopyrimidinones as IL-6/STAT3 Inhibitors

  摘要：

  New phenylpyrimido[1,2-c]thienopyrimidinones 4A and 4B were easily prepared in good yields by the one-pot reaction of formamidine derivatives 2 of 4-aminothienopyrimidine 1 with phenylacetyl chlorides. The application of this convenient and reliable method could be used for the synthesis of a variety of pyrimido[1,2-c]thienopyrimidinone derivatives of biological importance. Some of the compounds synthesized showed strong IL-6/STAT3 inhibition.

  DOI：

  10.3987/com-15-13166
• 作为产物：
  描述：

  N,N-二甲基甲酰胺二甲基缩醛 、 5,6,7,8-四氢苯并[4,5]噻吩并[2,3-d]嘧啶-4-胺 反应 8.0h， 生成 (E)-N,N-dimethyl-N’-(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)formimidamide
  参考文献：
  名称：

  Convenient Synthesis of Novel Phenylpyrimido[1,2-c]thienopyrimidinones as IL-6/STAT3 Inhibitors

  摘要：

  New phenylpyrimido[1,2-c]thienopyrimidinones 4A and 4B were easily prepared in good yields by the one-pot reaction of formamidine derivatives 2 of 4-aminothienopyrimidine 1 with phenylacetyl chlorides. The application of this convenient and reliable method could be used for the synthesis of a variety of pyrimido[1,2-c]thienopyrimidinone derivatives of biological importance. Some of the compounds synthesized showed strong IL-6/STAT3 inhibition.

  DOI：

  10.3987/com-15-13166