Diethyl-carbamic acid 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl ester | 141807-45-6

• 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: Diethyl-carbamic acid 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl ester
• 英文别名: (1,3-dimethyl-2,4-dioxopyrimidin-5-yl) N,N-diethylcarbamate
• CAS: 141807-45-6
• 化学式: C₁₁H₁₇N₃O₄
• 分子量: 255.274
• InChiKey: GVSOEIIMRMTVAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  70.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  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

文献信息

• 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
  作者：Saumitra Sengupta、Magda Leite、Delio Soares Raslan、Claude Quesnelle、Victor Snieckus

  DOI：10.1021/jo00041a004

  日期：1992.7

  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.