[(1,1'-fc(NSitBuMe2)2)La(THF)(CH2C6H3Me2-3,5)] | 1204306-87-5

• 英文名称: [(1,1'-fc(NSitBuMe2)2)La(THF)(CH2C6H3Me2-3,5)]
• 英文别名: [(1,1'-ferrocenylene(NSitBuMe2)2)La(tetrahydrofuran)(3,5-dimethylbenzyl)]；(1,1'-ferrocenylene(NSitBuMe2)2)La(CH2-3,5-Me2C6H3)(THF)
• CAS: 1204306-87-5
• 化学式: C₃₅H₅₇FeLaN₂OSi₂
• 分子量: 772.774
• InChiKey: RDKWEBIPTMVVRG-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：

  碳酸甲丙酯 、 [(1,1'-fc(NSitBuMe2)2)La(THF)(CH2C6H3Me2-3,5)] 以 甲苯 为溶剂， 以89.6%的产率得到
  参考文献：
  名称：

  Coupling of Aromatic N-Heterocycles Mediated by Group 3 Complexes

  摘要：

  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.

  DOI：

  10.1021/om900943m
• 作为产物：
  描述：

  ((1,1′-ferrocenediyl)(NSitBuMe2)2) 、 La(tetrahydrofuran)3(CH2C6H3Me2-3,5)3 以 四氢呋喃 、 乙醚 为溶剂， 以92.3%的产率得到[(1,1'-fc(NSitBuMe2)2)La(THF)(CH2C6H3Me2-3,5)]
  参考文献：
  名称：

  第3族配合物介导的N-杂环的脱芳构化反应

  摘要：

  由二茂铁二酰胺配体支持的第 3 族 (Sc, Y, Lu, La) 苄基复合物通过介导它们的偶联以及在少数情况下其 CN 键的断裂对芳香族 N-杂环具有反应性。当这些配合物与 2,2'-联吡啶或异喹啉反应时，它们促进了苄基配体的烷基迁移到吡啶环上，这一过程伴随着 N-杂环的脱芳构化。在芳族 N-杂环、酮和偶氮苯存在下，烷基转移反应的产物充当氢供体。实验和计算研究表明，氢转移是通过协同机制发生的。还报道了脱芳构化的、烷基取代的异喹啉配合物的有趣歧化反应。

  DOI：

  10.1021/ja908489p