| 889765-47-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 889765-47-3
• 化学式: C₁₈H₂₀Cl₂FeN₂O
• 分子量: 407.123
• InChiKey: LYUBAWMYEMPTDO-HEXQVDJKSA-L

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：

  、 2-异丙基苯胺 以 氯苯 为溶剂， 以97%的产率得到
  参考文献：
  名称：

  Studies on the Atropisomerism of Fe(II) 2,6-Bis(N-arylimino)pyridine Complexes

  摘要：

  NMR spectra of free 2,6-bis(N-arylimino)pyridine (PDI) ligands displaying different substituents at the ortho and ortho' positions of the two N-aryl rings indicate that they can exist in syn (meso) and anti (chiral) configurations. These interconvert in solution at room temperature, via rotation of the aryl group. The corresponding paramagnetic FeX2(PDI) complexes exhibit the same kind of isomerism, a property that is thought to be important for their activity as alpha-olefin polymerization catalysts. For the first time, this has been detected by H-1 NMR and studied in solution. Although the conformational stability of the diastereoisomeric complexes varies widely (depending on the size of the substituents at the imine and the aromatic rings), a moderate degree of steric hindrance suffices to allow their chemical separation. A simple procedure is developed for the preparation of these complexes in diastereoisomerically pure form. In addition, introduction of a prochiral substituent in the pyridine ring enables positive assignment of the stereoisomers. Isomerization rate measurements of the Fe(II) complexes in solution suggest that isomerization very likely involves the dissociation of the corresponding Fe-N(imino) bond prior to the rotation of N-aryl groups. DFT calculations provide additional support to the conformational assignment as well as the dissociative isomerization mechanism.

  DOI：

  10.1021/ic802271y
• 作为产物：
  描述：

  2-acetyl-6-(1-((2,4,6-trimethylphenyl)imino)ethyl)pyridine 、 FeCl2(dme) 以 not given 为溶剂， 生成
  参考文献：
  名称：

  Studies on the Atropisomerism of Fe(II) 2,6-Bis(N-arylimino)pyridine Complexes

  摘要：

  NMR spectra of free 2,6-bis(N-arylimino)pyridine (PDI) ligands displaying different substituents at the ortho and ortho' positions of the two N-aryl rings indicate that they can exist in syn (meso) and anti (chiral) configurations. These interconvert in solution at room temperature, via rotation of the aryl group. The corresponding paramagnetic FeX2(PDI) complexes exhibit the same kind of isomerism, a property that is thought to be important for their activity as alpha-olefin polymerization catalysts. For the first time, this has been detected by H-1 NMR and studied in solution. Although the conformational stability of the diastereoisomeric complexes varies widely (depending on the size of the substituents at the imine and the aromatic rings), a moderate degree of steric hindrance suffices to allow their chemical separation. A simple procedure is developed for the preparation of these complexes in diastereoisomerically pure form. In addition, introduction of a prochiral substituent in the pyridine ring enables positive assignment of the stereoisomers. Isomerization rate measurements of the Fe(II) complexes in solution suggest that isomerization very likely involves the dissociation of the corresponding Fe-N(imino) bond prior to the rotation of N-aryl groups. DFT calculations provide additional support to the conformational assignment as well as the dissociative isomerization mechanism.

  DOI：

  10.1021/ic802271y

文献信息

• Methods for producing a hexadentate bimetallic complex
  申请人：Small L. Brooke

  公开号：US20060128958A1

  公开（公告）日：2006-06-15

  The present application discloses methods for producing a hexadentate bimetallic complex. A method may comprise contacting an acyliminepyridine compound, a metal salt, and an amine to form a mixture; and recovering the hexadentate bimetallic complex from the mixture. A method may also comprise forming at least one imine bond in the presence of a metal salt, metal complex, or combinations thereof. The metal salt may be iron, cobalt, nickel, chromium, vanadium or mixtures thereof. The acyliminepyridine compound may be a mono-acyliminepyridine in instances where the amine is a diamine. In such instances, the mono-acyliminepyridine compound to diamine molar ratio may be in the range of about 2:1; and the mono-acyliminepyridine compound to metal salt molar ratio may be in the range of about 1:1. Methods for preparing an acyliminepyridine compound for use in preparation of a hexadentate bimetallic complex are also disclosed. Such methods may comprise contacting a di-acylpyridine with a first amine to form a first mixture, and recovering the acyliminepyridine compound from the first mixture.

  本申请公开了制备六齿双金属配合物的方法。一种方法可以包括将酰亚胺吡啶化合物、金属盐和胺接触以形成混合物；并从混合物中回收六齿双金属配合物。一种方法也可以包括在金属盐、金属配合物或其组合物的存在下形成至少一个亚胺键。金属盐可以是铁、钴、镍、铬、钒或其混合物。当胺为二胺时，酰亚胺吡啶化合物可以是单酰亚胺吡啶。在这种情况下，单酰亚胺吡啶化合物与二胺的摩尔比可以在约2:1的范围内；而单酰亚胺吡啶化合物与金属盐的摩尔比可以在约1:1的范围内。还公开了用于制备酰亚胺吡啶化合物以用于制备六齿双金属配合物的方法。这种方法可以包括将二酰基吡啶与第一胺接触以形成第一混合物，并从第一混合物中回收酰亚胺吡啶化合物。