1,3-Dimethyl-5-trimethylsilanylmethyl-1H-pyrimidine-2,4-dione | 141807-49-0

• 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: 1,3-Dimethyl-5-trimethylsilanylmethyl-1H-pyrimidine-2,4-dione
• CAS: 141807-49-0
• 化学式: C₁₀H₁₈N₂O₂Si
• 分子量: 226.351
• InChiKey: SDKJJGKLYMREIQ-UHFFFAOYSA-N

物化性质

• 沸点：
  279.3±42.0 °C(Predicted)
• 密度：
  1.032±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  44.0
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  (三甲基硅基)甲基氯化镁 、 Diethyl-carbamic acid 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl ester 在 bis(acetylacetonate)nickel(II) 作用下， 以 四氢呋喃 为溶剂， 以61%的产率得到1,3-Dimethyl-5-trimethylsilanylmethyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Nickel(0)-catalyzed cross coupling of aryl O-carbamates and aryl triflates with Grignard reagents. Directed ortho metalation-aligned synthetic methods for polysubstituted aromatics via a 1,2-dipole equivalent

  摘要：

  The first Ni(0)-catalyzed cross-coupling reactions of aryl O-carbamates and aryl triflates with Grignard reagents (Scheme I) to give diversely polysubstituted aromatics 2d and 2e (Table I) which feature regiospecificity based on directed ortho metalation (carbamate), minimal beta-hydride elimination (triflate), and dependence on steric and electronic effects are described.

  DOI：

  10.1021/jo00041a004