3-(1,2-diphenyl-2-(2,3,4,5-tetrabenzylcyclopenta-2,4-dien-1-yl)ethyl)-1-methyl-1H-imidazol-3-ium iodide | 1173700-04-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3-(1,2-diphenyl-2-(2,3,4,5-tetrabenzylcyclopenta-2,4-dien-1-yl)ethyl)-1-methyl-1H-imidazol-3-ium iodide
• CAS: 1173700-04-3
• 化学式: C₅₁H₄₇N₂*I
• 分子量: 814.852
• InChiKey: YPDLVHMBSOWLED-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  7.88
• 重原子数：
  54.0
• 可旋转键数：
  13.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  8.81
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  十二羰基三钌 、 3-(1,2-diphenyl-2-(2,3,4,5-tetrabenzylcyclopenta-2,4-dien-1-yl)ethyl)-1-methyl-1H-imidazol-3-ium iodide 以 甲苯 为溶剂， 以55%的产率得到
  参考文献：
  名称：

  Preparation of Cp-Functionalized N-Heterocyclic Carbene Complexes of Ruthenium. Resolution of Chiral Complexes and Catalytic Studies

  摘要：

  A series of piano-stool ruthenium(II) complexes bearing bidentate cyclopentadienyl-functionalized N-heterocyclic carbene ligands Ru(Cp-X-NHC)(CO)I [Cp = tetramethylcyclopentadienyl (Cp*) and tetrabenzylcyclopentadienyl (Cp-Bz)] have been prepared by the diastereoselective reaction of the imidazolium Cp-X-NHC proligands with [Ru-3(CO)(12)]. The new complexes have been characterized by spectroscopic techniques and X-ray diffraction methods. The enantiopure complexes have been separated by preparative thin-layer chromatography of the diastereomeric mixtures resulting from the reaction of the Ru(Cp-X-NHC)(CO)I compounds with an auxiliary chiral amine. Ru(Cp*-NHC)(CO)I is an efficient catalyst for the isomerization of allylic alcohols both in water and in THF.

  DOI：

  10.1021/om100090c

文献信息

• Iron(II) Complexes Bearing Chelating Cyclopentadienyl-N-Heterocyclic Carbene Ligands as Catalysts for Hydrosilylation and Hydrogen Transfer Reactions
  作者：V. V. Krishna Mohan Kandepi、João M. S. Cardoso、Eduardo Peris、Beatriz Royo

  DOI：10.1021/om100246j

  日期：2010.6.28

  A series of piano-stool iron(II) complexes bearing bidentate cyclopentadienyl-functionalized N-heterocyclic carbene ligands (Cp-NHC)Fe(CO)I (Cp = substituted and unsubstituted cyclopentadienyl) have been prepared upon reaction with Fe(CO)4I2 and characterized by spectroscopic and crystallographic methods. The 16-electron half-sandwich compound (Cp*-NHC)FeCl (Cp* = η5-C5Me4) has been synthesized by

  通过与Fe（CO）4反应制备了一系列带有二齿环戊二烯基官能化的N-杂环卡宾配体（CP-NHC）Fe（CO）I（CP =取代和未取代的环戊二烯基）的钢琴凳铁（II）配合物I 2并且通过光谱学和晶体学方法表征。16电子半夹心化合物（CP * -NHC）的FeCl（CP * =η 5 -C 5我4）已通过使用的FeCl合成2作为前体材料。新的铁络合物在酮的催化转移加氢和氢化硅烷化反应中显示出良好的催化活性。