5-Ethyl-2-phenyl-6-trimethylsilanylethynyl-3-(3-trimethylsilanyl-prop-2-ynyl)-3H-pyrimidin-4-one | 192802-95-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-Ethyl-2-phenyl-6-trimethylsilanylethynyl-3-(3-trimethylsilanyl-prop-2-ynyl)-3H-pyrimidin-4-one
• 英文别名: 5-Ethyl-2-phenyl-6-(2-trimethylsilylethynyl)-3-(3-trimethylsilylprop-2-ynyl)pyrimidin-4-one
• CAS: 192802-95-2
• 化学式: C₂₃H₃₀N₂OSi₂
• 分子量: 406.675
• InChiKey: SNHCSUVHCDPILZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.58
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-Ethyl-2-phenyl-6-trimethylsilanylethynyl-3-(3-trimethylsilanyl-prop-2-ynyl)-3H-pyrimidin-4-one 在 potassium fluoride 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 以97%的产率得到5-ethyl-6-ethynyl-2-phenyl-3-propargyl-4(3H)-pyrimidinone
  参考文献：
  名称：

  6-Trifluoromethanesulfonyloxy-4(3H)-pyrimidinones as versatile intermediates for the synthesis of 6-functionalized 4(3H)-pyrimidinones

  摘要：

  The reaction of 6-trifluoromethanesulfonyloxy-4(3H)-pyrimidinones with Me2Cu(CN)Li-2, and with vinyl tributyltin, trimethylsilylacetylene, and zinc cyanide with palladium catalysis, are described for the synthesis of a variety of fully functionalized 6-substituted-4(3H)-pyrimidinones of interest as herbicides.

  DOI：

  10.1016/s0040-4039(97)00947-7
• 作为产物：
  描述：

  5-ethyl-6-hydroxy-2-phenyl-3-propargyl-4(3H)-pyrimidinone 在 2,3,5-三甲基吡啶 、 bis-triphenylphosphine-palladium(II) chloride 、 正丁基锂 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 5-Ethyl-2-phenyl-6-trimethylsilanylethynyl-3-(3-trimethylsilanyl-prop-2-ynyl)-3H-pyrimidin-4-one
  参考文献：
  名称：

  6-Trifluoromethanesulfonyloxy-4(3H)-pyrimidinones as versatile intermediates for the synthesis of 6-functionalized 4(3H)-pyrimidinones

  摘要：

  The reaction of 6-trifluoromethanesulfonyloxy-4(3H)-pyrimidinones with Me2Cu(CN)Li-2, and with vinyl tributyltin, trimethylsilylacetylene, and zinc cyanide with palladium catalysis, are described for the synthesis of a variety of fully functionalized 6-substituted-4(3H)-pyrimidinones of interest as herbicides.

  DOI：

  10.1016/s0040-4039(97)00947-7