(2,6-(2,6-Me2C6H3N=CPh)2C5H3N)FeCl2 | 301658-90-2

• 英文名称: (2,6-(2,6-Me2C6H3N=CPh)2C5H3N)FeCl2
• 英文别名: (^Me(Ph)PDI)FeCl₂
• CAS: 301658-90-2
• 化学式: C₃₅H₃₁Cl₂FeN₃
• 分子量: 620.404
• InChiKey: JNTGQKCQHGXMEF-ZMEIYLNSSA-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：

  (2,6-(2,6-Me2C6H3N=CPh)2C5H3N)FeCl2 、 1,3-丁二烯 在 sodium 、 汞 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以63%的产率得到(^Me(Ph)PDI)Fe(s-trans C₄H₆)
  参考文献：
  名称：

  实现分子间烯烃-二烯 [2+2] 环加成和解聚反应的催化剂设计原理

  摘要：

  芳基取代的吡啶（二亚胺）铁络合物促进烯烃和二烯的催化 [2 + 2] 环加成形成乙烯基环丁烷以及丁二烯的低聚反应生成二乙烯基（低聚环丁烷），这是一种可化学回收的聚（丁二烯）微结构. 对一系列铁丁二烯配合物及其钌同系物的系统研究为了解促进这些环加成反应的催化剂的基本特征提供了见解。对丁二烯铁配合物的结构和计算研究表明，三齿钳的结构刚性能够实现罕见的 s-反式二烯配位。反过来，这种几何结构促进了二烯的烯烃臂之一的解离，为进入的底物打开了一个配位位点以进行氧化环化。对钌同系物的研究表明，该步骤在没有吡啶（二亚胺）螯合物的氧化还原参与的情况下发生。环丁烷的形成由金属环中间体通过可逆 C(sp3 )–C(sp 3 ) 还原耦合。用吡啶（二亚胺）铁和钌配合物进行的一系列标记实验支持接近 +3 氧化态以触发 C(sp 3 )–C(sp 3 ) 还原消除的有利性，包括从S = 0 到S的自旋交叉= 1.

  DOI：

  10.1021/jacs.1c08912
• 作为产物：
  描述：

  iron(II) chloride 、 2,6-bis(1-[(2,6-dimethylphenyl)imino]-benzyl)pyridine 以 四氢呋喃 、 乙醚 为溶剂， 生成 (2,6-(2,6-Me2C6H3N=CPh)2C5H3N)FeCl2
  参考文献：
  名称：

  Heterogenized iron(II) complexes as highly active ethene polymerization catalysts

  摘要：

  The synthesis of new iron(Pi) diiminopyridine complexes and their heterogenization to give highly active ethene polymerization catalysts is described. The ligands are characterized by (HNMR)-H-1, (CNMR)-C-13 spectroscopy and GC/MS. The complexes are paramagnetic and were characterized by elemental analyses and mass spectrometry. The complexes were activated and heterogenized with a cocatalyst consisting of partially hydrolyzed trimethylaluminum (PHT) on silica gel and were used for ethene polymerization.The polymerization results and the polymer properties are presented. The influence of the catalyst structure, hydrogen and 1-hexene on the polymerization behavior is discussed. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1381-1169(01)00333-8

文献信息

• Synthesis of Aryl-Substituted Bis(imino)pyridine Iron Dinitrogen Complexes
  作者：Sarah K. Russell、Jonathan M. Darmon、Emil Lobkovsky、Paul J. Chirik

  DOI：10.1021/ic902162z

  日期：2010.3.15

  The synthesis and characterization of dimeric, aryl-substituted bis(imino)pyridine iron dinitrogen complexes is described. In contrast to reduction with sodium amalgam where bis(chelate) iron compounds were isolated, stirring ((PDI)-P-Ar)FeBr2 or ((BPDI)-B-Me)FeBr2 (PDI = 2,6-(ArN=CMe)(2)C5H3N; Ar = 2,6-Et-2-C6H3N ((PDI)-P-Et), 2,6-Me-2-C6H3N ((PDI)-P-Me), 2-Pr-i,6-Me-C6H3N (Me,(PDI)-P-iPr); (BPDI)-B-Me = 2,6-(2,6-Me-2-C6H3N=CPh)(2)C5H3N) with sodium naphthalenide resulted in isolation of the desired iron dinitrogen compounds as diamagnetic solids, Two examples, [((PDI)-P-Et)Fe(N-2)](2)(mu(2)-N-2) and [((BPDI)-B-Me)Fe(N-2)](2)(mu(2)-N-2), were characterized by X-ray diffraction. The solid state metrical parameters, in combination with infrared and Mossbauer spectroscopic data, establish ferrous compounds with doubly reduced chelates. Each new bis(imino)pyridine iron dinitrogen compound was screened for the catalytic hydrogenation of ethyl-3-methylbut-2-enoate, and the compound bearing the smallest aryl substituent, [((PDI)-P-Me)Fe(N-2)](2)(mu(2)-N-2), offers significant improvement over the original ((PDI)-P-iPr)Fe(N-2)(2) pre-catalyst and is one of the most active iron pre-catalysts known.