(2,4-dioxocyclohex-1-yl)acetic acid | 1020661-02-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2,4-dioxocyclohex-1-yl)acetic acid
• 英文别名: 2-(2,4-Dioxocyclohexyl)acetic acid
• CAS: 1020661-02-2
• 化学式: C₈H₁₀O₄
• 分子量: 170.165
• InChiKey: MVMGECOUKFGKDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  71.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(1,4,8,11-四氧杂二螺[4.1.4.3]十四碳-12-基)乙酸 在 盐酸 作用下， 以 丙酮 为溶剂， 反应 3.0h， 以70%的产率得到(2,4-dioxocyclohex-1-yl)acetic acid
  参考文献：
  名称：

  Efficient synthesis of 2,6-dioxo-1,2,3,4,5,6-hexahydroindoles based on the synthesis and reactions of (2,4-dioxocyclohex-1-yl)acetic acid derivatives

  摘要：

  Acetal-protected (2,.4-dioxocyclohex-1-yl)acetic acid derivatives were prepared by the allylation of dilithiated 1,3-cyclohexane-1,3-diones, by the protection of the carbonyl groups and by the oxidation of the alkene. The products were then transformed, by amide formation and subsequent cyclization, into 2,6-dioxo-1,2,3,4,5,6-hexahydroindoles, which represent important intermediates for the synthesis of various alkaloids. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.02.027