2-(but-2-enyl)cyclohexane-1,3-dione | 32774-71-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(but-2-enyl)cyclohexane-1,3-dione
• 英文别名: 2-but-2-enyl-3-hydroxycyclohex-2-en-1-one
• CAS: 32774-71-3
• 化学式: C₁₀H₁₄O₂
• 分子量: 166.22
• InChiKey: VDBIJXBVICYAFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.52
• 重原子数：
  12.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  巴豆醇 、 1,3-环己二酮 在 palladium diacetate 1-金刚烷甲酸 、 三苯基膦 作用下， 以 水 为溶剂， 反应 0.5h， 以33%的产率得到2-(but-2-enyl)cyclohexane-1,3-dione
  参考文献：
  名称：

  Direct palladium/carboxylic acid-catalyzed C-allylation of cyclic 1,3-diones with allylic alcohols in water

  摘要：

  The direct activation of C-O bonds in allylic alcohols in water as a suspension medium by palladium complexes has been accelerated by carrying out the reactions in the presence of a carboxylic acid. The palladium-catalyzed allylation of cyclic 1,3-diones using allylic alcohols directly gave the corresponding C-allylated products in good yields. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.11.082

文献信息

• Direct palladium/carboxylic acid-catalyzed C-allylation of cyclic 1,3-diones with allylic alcohols in water
  作者：Kim-Hong Gan、Ciou-Jyu Jhong、Shyh-Chyun Yang

  DOI：10.1016/j.tet.2007.11.082

  日期：2008.2

  The direct activation of C-O bonds in allylic alcohols in water as a suspension medium by palladium complexes has been accelerated by carrying out the reactions in the presence of a carboxylic acid. The palladium-catalyzed allylation of cyclic 1,3-diones using allylic alcohols directly gave the corresponding C-allylated products in good yields. (c) 2007 Elsevier Ltd. All rights reserved.