[Y(THF)(1,1'-ferrocenylene(NSi(t-Bu)Me2)2)(CH2(3,5-Me2C6H3))] | 1174937-86-0

• 英文名称: [Y(THF)(1,1'-ferrocenylene(NSi(t-Bu)Me2)2)(CH2(3,5-Me2C6H3))]
• 英文别名: (1,1'-ferrocenylene(NSitBuMe2)2)Y(CH2-3,5-Me2C6H3)(THF)
• CAS: 1174937-86-0
• 化学式: C₃₅H₅₇FeN₂OSi₂Y
• 分子量: 722.774
• InChiKey: GALCKXISIRSLDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  1-甲基苯并咪唑 、 [Y(THF)(1,1'-ferrocenylene(NSi(t-Bu)Me2)2)(CH2(3,5-Me2C6H3))] 以 甲苯 为溶剂， 以86.3%的产率得到[Y(1,1'-ferrocenylene(NSi(t-Bu)Me2)2)(1-methylbenzimidazole)(MeC7H4N2C7H5N2Me)]
  参考文献：
  名称：

  咪唑与亲电金属烷基络合物的反应

  摘要：

  由1,1'-二茂铁基-二酰胺配体支撑的中性钇和苄基配合物可实现两个1-甲基苯并咪唑分子的C-C偶联。这种转化涉及C-H活化和中的一个耦合η 2（Ñ，ç与协调1-甲基苯并咪唑配位体） -咪唑基片段。偶联的产物可以转化成单核或双核产物，其中咪唑环之一被切割。可变温度1 H和2 H NMR光谱数据支持C-C偶合事件的可逆性，并解释了双核产物的形成。

  DOI：

  10.1021/om901106d

文献信息

• Reactions of Group III Biheterocyclic Complexes
  作者：Colin T. Carver、Diego Benitez、Kevin L. Miller、Bryan N. Williams、Ekaterina Tkatchouk、William A. Goddard、Paula L. Diaconescu

  DOI：10.1021/ja902794w

  日期：2009.7.29

  Group III alkyl complexes supported by a ferrocene diamide ligand (1,1'-fc(NSi(t)BuMe(2))(2)) have been found to be reactive toward aromatic N-heterocycles such as 1-methylimidazole and pyridines. These reactions were investigated experimentally and computationally. An initial C-H activation event is followed by a coupling reaction to form biheterocyclic complexes, in which one of the rings is dearomatized

  已发现由二茂铁二酰胺配体 (1,1'-fc(NSi(t)BuMe(2))(2)) 支持的第 III 组烷基配合物对芳香族 N-杂环（如 1-甲基咪唑和吡啶）具有反应性。通过实验和计算研究了这些反应。最初的 CH 活化事件之后是偶联反应以形成双杂环复合物，其中一个环被脱芳构化。在1-甲基咪唑的情况下，双杂环化合物不能被分离并进一步导致咪唑开环产物；在吡啶的情况下，它转化为具有双键扩展共轭的异构体。根据实验和计算结果提出了两种反应的机理。
• Coupling of Aromatic N-Heterocycles Mediated by Group 3 Complexes
  作者：Colin T. Carver、Bryan N. Williams、Kevin R. Ogilby、Paula L. Diaconescu

  DOI：10.1021/om900943m

  日期：2010.2.22

  Group 3 eta(2)-N,C-pyridyl complexes supported by a ferrocene-diamide ligand have been known to mediate the coupling of eta(2)-N,C-pyridyl and coordinated-pyridine ligands with a concomitant dearomatization of the pyridine ligand. Examples reported previously by us were limited to a few cases. In order to investigate the scope of the Coupling reaction, various eta(2)-N,C-pyridyl scandium complexes were isolated and characterized. Their reactivity toward other aromatic N-heterocycles is presented along with the characterization Of file Subsequent reaction products. The coupling reaction is favored by ortho substitution, the presence of fused aromatic rings on the pyridine ligand, and chelating substrates. In one instance, the product of the coupling reaction between a scandium eta(2)-N, C-pyridyl complex and 7,8-benzoquinoline could not be isolated because a subsequent isomerization reaction was favored. The coupling reaction is not restricted to eta(2)-N,C-pyridyl fragments, and it proceeds also from CH, groups bound to the metal center and connected to a pyridine ligand. The reaction between eta(2)-N,C-imidazolyl scandium complexes and 2,2'-bipyridine is also discussed.