2-tert-Butyl-6-methyl-4-oxo-4H-[1,3]dioxine-2-carboxylic acid dimethylamide | 222738-22-9

• 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-tert-Butyl-6-methyl-4-oxo-4H-[1,3]dioxine-2-carboxylic acid dimethylamide
• 英文别名: 2-tert-butyl-N,N,4-trimethyl-6-oxo-1,3-dioxine-2-carboxamide
• CAS: 222738-22-9
• 化学式: C₁₂H₁₉NO₄
• 分子量: 241.287
• InChiKey: CUZWMHGOSUXJKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-tert-Butyl-6-methyl-4-oxo-4H-[1,3]dioxine-2-carboxylic acid dimethylamide 在 Rh/Al₂O₃ 氢气 作用下， 以 乙酸乙酯 为溶剂， 生成 2-tert-Butyl-4-methyl-6-oxo-[1,3]dioxane-2-carboxylic acid dimethylamide
  参考文献：
  名称：

  Stereoelectronic Effects on .PI.-Facial Selectivity in Addition to 4H-1,3-Dioxin-4-ones.

  摘要：

  π-Facial selectivity in catalytic hydrogenation and conjugate addition of a series of 2, 2-disubstituted 4H-1, 3-dioxin-4-ones was examined. The results indicated that pyramidalization at the reaction center of dioxinones is less important than other stereoelectronic effects and the steric effect as the origin of π-facial selectivity.

  DOI：

  10.1248/cpb.47.293
• 作为产物：
  描述：

  2-tert-Butyl-6-methyl-4-oxo-4H-[1,3]dioxine-2-carboxylic acid benzyl ester 在 palladium on activated charcoal 吡啶 、 氢气 、 对甲苯磺酰氯 作用下， 生成 2-tert-Butyl-6-methyl-4-oxo-4H-[1,3]dioxine-2-carboxylic acid dimethylamide
  参考文献：
  名称：

  Stereoelectronic Effects on .PI.-Facial Selectivity in Addition to 4H-1,3-Dioxin-4-ones.

  摘要：

  π-Facial selectivity in catalytic hydrogenation and conjugate addition of a series of 2, 2-disubstituted 4H-1, 3-dioxin-4-ones was examined. The results indicated that pyramidalization at the reaction center of dioxinones is less important than other stereoelectronic effects and the steric effect as the origin of π-facial selectivity.

  DOI：

  10.1248/cpb.47.293