(fc[NSi(t)BuMe2]2)Sc(N(CH3)CHCHNCHC3H2N2CH3) | 1034004-75-5

• 英文名称: (fc[NSi(t)BuMe2]2)Sc(N(CH3)CHCHNCHC3H2N2CH3)
• CAS: 1034004-75-5
• 化学式: C₃₀H₄₉FeN₆ScSi₂
• 分子量: 650.733
• InChiKey: NKKHXDFPOYWRSJ-CYGIUKHQSA-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：

  (fc[NSi(t)BuMe2]2)Sc(N(CH3)CHCHNCHC3H2N2CH3) 、 三甲基铝 以 甲苯 为溶剂， 以61.7%的产率得到
  参考文献：
  名称：

  Transmetalation Reactions of a Scandium Complex Supported by a Ferrocene Diamide Ligand

  摘要：

  Efforts to transfer to aluminum the heterocyclic ligand of a ring-opened imidazole scandium complex, which was previously reported, are presented. A ring-opened imidazole aluminum compound was formed at 50 degrees C and characterized as a trialuminum complex. At high temperature (85 degrees C), the formation of an unusual scandium/aluminum methylidene was observed. The reaction products were characterized by standard spectroscopic techniques and X-ray crystallography. Density functional theory calculations were used to understand the electronic structure of the scandium/aluminum methylidene complex.

  DOI：

  10.1021/ic1016005
• 作为产物：
  描述：

  N-甲基咪唑 、 1-Me(AlMe3)2 以 氘代苯 为溶剂， 生成 (fc[NSi(t)BuMe2]2)Sc(N(CH3)CHCHNCHC3H2N2CH3)
  参考文献：
  名称：

  Transmetalation Reactions of a Scandium Complex Supported by a Ferrocene Diamide Ligand

  摘要：

  Efforts to transfer to aluminum the heterocyclic ligand of a ring-opened imidazole scandium complex, which was previously reported, are presented. A ring-opened imidazole aluminum compound was formed at 50 degrees C and characterized as a trialuminum complex. At high temperature (85 degrees C), the formation of an unusual scandium/aluminum methylidene was observed. The reaction products were characterized by standard spectroscopic techniques and X-ray crystallography. Density functional theory calculations were used to understand the electronic structure of the scandium/aluminum methylidene complex.

  DOI：

  10.1021/ic1016005

文献信息

• Ring-Opening Reactions of Aromatic N-Heterocycles by Scandium and Yttrium Alkyl Complexes
  作者：Colin T. Carver、Paula L. Diaconescu

  DOI：10.1021/ja802728k

  日期：2008.6.18

  The C-N bond in aromatic N-heterocycles is a strong bond, its cleaving involving mostly examples of metal-element multiple bonds. We report on the C-C coupling of two molecules of an aromatic N-heterocycle mediated by scandium and yttrium benzyl complexes supported by a ferrocene 1,1'-diamide ligand. The reaction with 1-methylimidazole leads, ultimately, to the formation of a ring-opened imidazole

  芳族 N-杂环中的 CN 键是一种强键，其断裂主要涉及金属元素多重键的例子。我们报告了由二茂铁 1,1'-二酰胺配体支持的钪和钇苄基配合物介导的两个芳香族 N-杂环分子的 CC 耦合。与 1-甲基咪唑的反应最终导致形成与 1-甲基咪唑片段偶联的开环咪唑，该结构显示双键的扩展共轭。实验证据与这些转换中仅涉及 sigma 键一致。
• Visible-light-induced reversible C–C bond formation of an imidazole-derived scandium complex
  作者：Wenliang Huang、Paula L. Diaconescu

  DOI：10.1016/j.ica.2011.08.066

  日期：2012.1

  unusual [3+3] cycloaddition between two scandium complexes formed by the ring-opening of 1-methylimidazole is reported. The two C–C bond formations were found to be reversible and temperature dependent. A higher temperature favored the dissociation process, while formation of the dimer by cycloaddition was favored at ambient conditions. It was found that the cycloaddition took place only in the presence

  摘要报道了由1-甲基咪唑开环形成的两个scan配合物之间异常的[3 + 3]环加成反应。发现这两个CC键的形成是可逆的，并且与温度有关。较高的温度有利于离解过程，而在环境条件下有利于通过环加成反应形成二聚体。发现仅在可见光存在下才发生环加成，而紫外线可引起相反的解离反应。还研究了溶剂，路易斯酸和布朗斯台德碱对反应的影响。