2-(1-hydroxy-2-oxo-1,2-dihydroacenaphthylen-1-yl)-5,5-dimethylcyclohexane-1,3-dione | 1383808-33-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(1-hydroxy-2-oxo-1,2-dihydroacenaphthylen-1-yl)-5,5-dimethylcyclohexane-1,3-dione
• CAS: 1383808-33-0
• 化学式: C₂₀H₁₈O₄
• 分子量: 322.361
• InChiKey: WZBYOBRTSAZHME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  24.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  71.44
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  5,5-二甲基-1,3-环己二酮 、 苊醌 以 水 为溶剂， 反应 0.25h， 以81%的产率得到2-(1-hydroxy-2-oxo-1,2-dihydroacenaphthylen-1-yl)-5,5-dimethylcyclohexane-1,3-dione
  参考文献：
  名称：

  General non-catalytic approach to spiroacenaphthylene heterocycles: multicomponent assembling of acenaphthenequinone, cyclic CH-acids and malononitrile

  摘要：

  The new type of non-catalytic cascade reaction was found: the direct multicomponent reaction of acenaphthenequinone, cyclic CH-acids, and malononitrile to form spiroacenaphthylene heterocycles. The direct heating in water acenaphthenequinone, cyclic CH-acids, and malononitrile at 80 degrees C results in the formation of spiroacenaphthylene heterocycles in 90-95% yields. Thus, a new simple and efficient green 'one-pot' method to synthesize substituted spiroacenaphthylene frameworks was found directly from simple starting compounds. The application of this convenient green multicomponent method is also beneficial from the viewpoint of diversity-oriented large-scale processes. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.05.005