2,6-bis[1-((2-methyl-6-isopropylphenyl)imino)ethyl]pyridine | 420119-95-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,6-bis[1-((2-methyl-6-isopropylphenyl)imino)ethyl]pyridine
• 英文别名: 2,6-bis[1-(2-isopropyl-6-methylphenylimino)ethyl]-pyridine；(iPr,Me)pdi；(C5H3N)(C(CH3)N(C6H3)(CH3)(iso-propyl))2
• CAS: 420119-95-5
• 化学式: C₂₉H₃₅N₃
• 分子量: 425.617
• InChiKey: NHMYBJOFIDTEGB-LNPZFHFVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.23
• 重原子数：
  32.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  37.61
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2,6-bis[1-((2-methyl-6-isopropylphenyl)imino)ethyl]pyridine 、 三氯化矾四氢呋喃络合物 以 not given 为溶剂， 生成 ((C5H3N)(C(CH3)N(C6H3)(CH3)(iso-propyl))2)VCl3
  参考文献：
  名称：

  N，N，N-三叉铁（II）和钒（III）配合物：第一部分。合成与表征

  摘要：

  报道了新的铁（II）和钒（III）二亚胺吡啶基配合物的合成。合成了配体并通过GC / MS，1 H和13 C NMR光谱表征。相应的配合物通过质谱表征，部分通过元素分析表征。发现活化的钒配合物是高活性和选择性的催化剂，用于乙烯低聚为α-烯烃。

  DOI：

  10.1016/j.molcata.2004.07.014

文献信息

• Iron and Cobalt Complexes of 4‐Alkyl‐2,6‐diiminopyridine Ligands: Synthesis and Ethylene Polymerization Catalysis
  作者：Juan Cámpora、A. Marcos Naz、Pilar Palma、Antonio Rodríguez‐Delgado、Eleuterio Álvarez、Incoronata Tritto、Laura Boggioni

  DOI：10.1002/ejic.200701220

  日期：2008.4

  2-methyl-2-phenylpropyl (neophyl), benzyl, or allyl groups in the 4-position of the pyridine ring. A set of Fe and Co complexes containing the new ligands have been synthesized and fully characterized. The presence of 4-neophyl or -benzyl groups does not perturb the performance of the complexes as ethylene polymerization catalysts, but the introduction of the 4-allyl group leads to the production of higher molecular

  一种选择性烷基化 2,6-二亚氨基吡啶 (pdi) 配体的新方法可以很容易地合成在吡啶环的 4 位上显示 2-甲基-2-苯丙基（neophyl）、苄基或烯丙基的新衍生物. 一组包含新配体的 Fe 和 Co 配合物已被合成并充分表征。4-neophyl 或-苄基的存在不会影响配合物作为乙烯聚合催化剂的性能，但 4-烯丙基的引入导致更高分子量聚合物的产生。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
• Preparation, Structure, and Ethylene Polymerization Behavior of Bis(imino)pyridyl Chromium(III) Complexes
  作者：Miguel A. Esteruelas、Ana M. López、Luis Méndez、Montserrat Oliván、Enrique Oñate

  DOI：10.1021/om020561u

  日期：2003.2.1

  The synthesis, characterization, and ethylene polymerization behavior of a family of chromium(III) complexes of formula [2,6-bis(imino)pyridyl]CrCl3 is reported. The X-ray diffraction studies of two of the new compounds show that the geometry around the chromium atom is octahedral, with the three chlorine ligands in a mer disposition. The distance between the metal and one of the trans-disposed chlorine

  报道了式[2,6-双（亚氨基）吡啶基] CrCl 3的一族铬（III）配合物的合成，表征和乙烯聚合行为。两个新的化合物的X射线衍射研究显示，围绕铬原子的几何形状是八面体，与在三个氯配体聚体布置。金属与一个转置的氯原子之间的距离明显长于其他两个Cr-Cl距离。复合物[2,6-双（亚氨基）吡啶基] CrCl 3的处理用甲基铝氧烷（MAO）与乙烯反应可制得非常活跃的乙烯聚合催化剂，可提供高度线性的聚乙烯。2，6-双（亚氨基）吡啶基配体的N-芳基邻位的取代基既调节催化活性，又调节所得聚乙烯的分子量。最活泼的催化剂是那些具有两个取代基在N-芳基（活动起来的邻位至4×10 7克的Cr（摩尔）- 1巴- 1个H ^ - 1实现）。关于取代基的大小，活性和分子量遵循相反的趋势。具有两个小的取代基的体系会产生非常活跃的体系，但聚乙烯的分子量低于存在较大取代基的体系。
• 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。
• Iron complexes with ω-alkenyl substituted bis(arylimino)pyridine ligands as catalyst precursors for the oligomerization and polymerization of ethylene
  作者：Christian Görl、Helmut G. Alt

  DOI：10.1016/j.molcata.2007.04.001

  日期：2007.8

  A series of 15 iron complexes with omega-alkenyl functionalized bis(arylimino)pyri,dine ligands-was synthesized and characterized. After activation with methylalumoxane (MAO), these catalysts oligomerize or polymerize ethylene to give highly linear products. Their potential for self-immobilization during the polymerization process was investigated. The product composition and the molecular weights of the polyethylenes were analyzed and compared with the values resulting. from analogously alkyls substituted bis(arylimino)pyridine iron complexes. (C) 2007 Elsevier B.V. All rights reserved.
• Propylene polymerization with a bisiminepyridine iron complex: activation with Ph3C [B(C6F5)4] and AlR3; iron hydride species in the catalytic cycle
  作者：Sebastian Thomas Babik、Gerhard Fink

  DOI：10.1016/s1381-1169(02)00340-0

  日期：2002.9

  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.