5-Ethyl-6-oxo-2-phenyl-1-(3-trimethylsilanyl-prop-2-ynyl)-1,6-dihydro-pyrimidine-4-carbonitrile | 192802-97-4

• 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-6-oxo-2-phenyl-1-(3-trimethylsilanyl-prop-2-ynyl)-1,6-dihydro-pyrimidine-4-carbonitrile
• 英文别名: 5-ethyl-6-oxo-2-phenyl-1-(3-trimethylsilylprop-2-ynyl)pyrimidine-4-carbonitrile
• CAS: 192802-97-4
• 化学式: C₁₉H₂₁N₃OSi
• 分子量: 335.481
• InChiKey: OLVNYVAIVZBEFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.23
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  58.68
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  5-Ethyl-6-oxo-2-phenyl-1-(3-trimethylsilanyl-prop-2-ynyl)-1,6-dihydro-pyrimidine-4-carbonitrile 在 四丁基氟化铵 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 以95%的产率得到5-Ethyl-6-oxo-2-phenyl-1-prop-2-ynyl-1,6-dihydro-pyrimidine-4-carbonitrile
  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-2-phenyl-3-propargyl-6-trifluoromethanesulfonyloxy-4(3H)-pyrimidinone 在 四(三苯基膦)钯 、 正丁基锂 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 5-Ethyl-6-oxo-2-phenyl-1-(3-trimethylsilanyl-prop-2-ynyl)-1,6-dihydro-pyrimidine-4-carbonitrile
  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