2,6-bis[1-(2-isopropyl-6-methylphenylimino)ethyl]-pyridineiron(II)dichloride | 1142949-64-1

• 英文名称: 2,6-bis[1-(2-isopropyl-6-methylphenylimino)ethyl]-pyridineiron(II)dichloride
• CAS: 1142949-64-1；223696-28-4；1142949-65-2
• 化学式: C₂₉H₃₅Cl₂FeN₃
• 分子量: 552.37
• InChiKey: CMHRBNOTLJZRGX-KSWNCPITSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  2,6-bis[1-((2-methyl-6-isopropylphenyl)imino)ethyl]pyridine 、 iron(II) chloride 以 四氢呋喃 为溶剂， 以99%的产率得到2,6-bis[1-(2-isopropyl-6-methylphenylimino)ethyl]-pyridineiron(II)dichloride
  参考文献：
  名称：

  Propylene polymerization with a bisiminepyridine iron complex: activation with Ph3C [B(C6F5)4] and AlR3; iron hydride species in the catalytic cycle

  摘要：

  In this work, the complex 2,6-bis [1-(2-isopropyl-6-methylphenylimino)ethyl]-pyridineiron(II)dichloride was used for propylene polymerization. Activation with Ph3C [B(C6F5)(4)] and subsequent treatment with triisobutylaluminium or triethylaluminium generated a very active polymerization catalyst for propylene, The kinetics of this polymerization reaction were investigated with mass-flowmeters. Further we show propagation-time-profiles of this reaction. Depending on the nature of the aluminiumalkyl we are able to determine different aliphatic endgroups in the polymer using C-13 NMR spectroscopy. Addition of hydrogen to the polymerization leads to higher activities and allows us to formulate a complete catalytic reaction cycle containing an iron hydride species, This cycle comprises one starting cycle and two propagation cycles which can be controlled with the aluminiumtrialkyl-propylene ratio. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1381-1169(02)00340-0

文献信息

• Separation of a diiminopyridine iron(ii) complex into rac- and meso- diastereoisomers provides evidence for a dual stereoregulation mechanism in propene polymerization
  作者：Antonio Rodríguez-Delgado、Juan Cámpora、A. Marcos Naz、Pilar Palma、Manuel L. Reyes

  DOI：10.1039/b810381j

  日期：——

  Separation of a diiminopyridine iron(II) complex into its rac- and meso- diastereoisomers provides for first time the opportunity of observing the enantiomorphic site control competing with the chain-end control mechanism in a non-metallocene catalyst system.

  将二亚氨基吡啶铁（II）络合物分离为其外消旋和中非对映异构体，首次为观察非对茂金属催化剂体系中对映体位点控制与链端控制机制的竞争提供了机会。
• Studies on the Atropisomerism of Fe(II) 2,6-Bis(<i>N</i>-arylimino)pyridine Complexes
  作者：Juan Cámpora、M. Ángeles Cartes、Antonio Rodríguez-Delgado、A. Marcos Naz、Pilar Palma、Carmen M. Pérez、Diego del Rio

  DOI：10.1021/ic802271y

  日期：2009.4.20

  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.