dimethyl 2-(1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinylidene)-2-tricyclo[3.3.1.1(3,7)]dec-1-yl-aminoethanephosphonate | 1312300-08-5

• 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: dimethyl 2-(1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinylidene)-2-tricyclo[3.3.1.1(3,7)]dec-1-yl-aminoethanephosphonate
• 英文别名: 5-[1-(1-adamantylamino)-2-dimethoxyphosphorylethylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
• CAS: 1312300-08-5
• 化学式: C₂₀H₃₀N₃O₆P
• 分子量: 439.448
• InChiKey: FYZGCVMLILGGDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1,3-二甲基巴比妥酸 、 N-adamantyl(dimethylphosphono)ketenimine 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 dimethyl 2-(1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinylidene)-2-tricyclo[3.3.1.1(3,7)]dec-1-yl-aminoethanephosphonate
  参考文献：
  名称：

  Reactions of aldoketeniminophosphonates with CH-acids

  摘要：

  Aiming to obtain new polyfunctional organophosphorus compounds, we studied the reactions of aldoketeniminophosphonates with different CH-acids. The reactions were shown to proceed efficiently in anhydrous acetonitrile medium in the presence of the catalytic amounts of potassium carbonate to form the products of the addition of CH-acids to a multiple carbon-carbon bond followed by the prototropic isomerization to the corresponding gamma-substituted beta-functional alkylaminoethenephosphonates. The reaction of aldoketeniminophosphonates with CH-acids is found to depend significantly on the strength and nature of the acid. The formation of the carbon-carbon bond is possible mainly in the case of the CH-acids whose pK (a) values lie within 10-14.

  DOI：

  10.1134/s1070363211040025