(2,2-dimethyl-4-oxo-6-phenyl-4H-1,3-dioxin-5-yl)magnesium chloride | 382162-63-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢呋喃
• 英文名称: (2,2-dimethyl-4-oxo-6-phenyl-4H-1,3-dioxin-5-yl)magnesium chloride
• CAS: 382162-63-2
• 化学式: C₁₂H₁₁ClMgO₃
• 分子量: 262.976
• InChiKey: LCRWMLZOILLYFK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.52
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  环己烷基甲醛 、 (2,2-dimethyl-4-oxo-6-phenyl-4H-1,3-dioxin-5-yl)magnesium chloride 以 四氢呋喃 为溶剂， 以64%的产率得到5-(cyclohexyl-hydroxy-methyl)-2,2-dimethyl-6-phenyl-[1.3]dioxin-4-one
  参考文献：
  名称：

  New functionalized alkenylmagnesium reagents bearing an oxygen function in the β-position. Preparation and reaction of 5-magnesiated-1,3-dioxin-4-one derivatives

  摘要：

  5-Magnesiated-1,3-dioxin-4-ones have been prepared by performing a low temperature iodine-magnesium exchange reaction. These alkenylmagnesium reagents bearing an alkoxy function in the beta -position react directly with aldehydes or with other electrophiles such as acid chlorides, allylic bromides, aryl and alkenyl iodides in the presence of a copper or palladium transition metal catalyst. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01426-5
• 作为产物：
  描述：

  6-phenyl-2,2-dimethyl-1,3-dioxin-4-one 在 N-碘代丁二酰亚胺 、 异丙基氯化镁 作用下， 以 四氢呋喃 、 溶剂黄146 为溶剂， 反应 18.5h， 生成 (2,2-dimethyl-4-oxo-6-phenyl-4H-1,3-dioxin-5-yl)magnesium chloride
  参考文献：
  名称：

  New functionalized alkenylmagnesium reagents bearing an oxygen function in the β-position. Preparation and reaction of 5-magnesiated-1,3-dioxin-4-one derivatives

  摘要：

  5-Magnesiated-1,3-dioxin-4-ones have been prepared by performing a low temperature iodine-magnesium exchange reaction. These alkenylmagnesium reagents bearing an alkoxy function in the beta -position react directly with aldehydes or with other electrophiles such as acid chlorides, allylic bromides, aryl and alkenyl iodides in the presence of a copper or palladium transition metal catalyst. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01426-5