1,1'-dimethyl-3,3'-(1,2-dimethylene)diimidazoline-2,2'-diylidenepalladium(II) dichloride | 914500-06-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,1'-dimethyl-3,3'-(1,2-dimethylene)diimidazoline-2,2'-diylidenepalladium(II) dichloride
• 英文别名: 1-methyl-3-[2-(3-methyl-2H-imidazol-1-ium-2-id-1-yl)ethyl]-2H-imidazol-3-ium-2-ide;palladium(2+);dichloride
• CAS: 914500-06-4
• 化学式: C₁₀H₁₄Cl₂N₄Pd
• 分子量: 367.574
• InChiKey: LSTURKFHUQGDFN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.79
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  13
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  palladium diacetate 、 1,1'-dimethyl-3,3'-(1,2-dimethylene)bisimidazolium dichloride 以 二甲基亚砜 为溶剂， 以69.4%的产率得到1,1'-dimethyl-3,3'-(1,2-dimethylene)diimidazoline-2,2'-diylidenepalladium(II) dichloride
  参考文献：
  名称：

  Extension of the Alkane Bridge in BisNHC−Palladium−Chloride Complexes. Synthesis, Structure, and Catalytic Activity

  摘要：

  A series of bisNHC chelate ligands with alkyl bridges of different chain lengths and their palladium complexes have been prepared. The influence of the different bridges on the solid-state structure and reactivity of the complexes has been studied. The catalytic activity of the palladium complexes was successfully tested in the Mizoroki-Heck reaction and the catalytic CH activation of methane. The ethylene-bridged palladium complex showed the highest catalytic activity in the CH activation of methane and the Mizoroki-Heck coupling of bromoarenes, while for unreactive chloroarenes bisNHC complexes with longer bridges give better results.

  DOI：

  10.1021/om060577a