2,6-bis(1'-benzylbenzimidazol-2'-yl)pyridine cobalt(II) chloride | 1235347-90-6

• 英文名称: 2,6-bis(1'-benzylbenzimidazol-2'-yl)pyridine cobalt(II) chloride
• CAS: 1235347-90-6
• 化学式: C₃₃H₂₅Cl₂CoN₅
• 分子量: 621.494
• InChiKey: GMTZCWHYTCMVPX-UHFFFAOYSA-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：

  cobalt(II) chloride hexahydrate 、 2,6-bis(1-benzylbenzimidazol-2-yl)-pyridine 以 tetrahydrofuran 为溶剂， 以88%的产率得到2,6-bis(1'-benzylbenzimidazol-2'-yl)pyridine cobalt(II) chloride
  参考文献：
  名称：

  Stereospecific polymerizations of 1,3-butadiene catalyzed by Co(II) complexes ligated by 2,6-bis(benzimidazolyl)pyridines

  摘要：

  The tridentate 2,6-bis(benzimidazolyl)pyridine ligands were combined with CoCl2 to prepare a series of complexes of the general formula: [Py(Bm-R)(2)]CoCl2 (where Py = pyridyl, Bm=benzimidazolyl, R=H (3a); -Me (3b); -Bz (3c)). These complexes were characterized by mass and elemental analysis, along with X-ray diffraction analysis. The geometry around the five coordinated Co atom in 3c consists of a distorted square pyramid in which cobalt is surrounded by tridentate NICA ligand and two chlorines. The Co(II) complexes exhibited high catalytic activities for the polymerization of 1.3-butadiene on activation with alkylaluminums to yield predominantly cis-1,4-polybutadiene with high molecular weight. Choice of cocatalysts was found to be a decisive factor in determining the activity and product microstructure. Ethylaluminum sesquichloride (EASC) was found to be the most efficient one resulting in polymers with about 97% 1,4-cis content. The ligand modification by N-alkylation shows considerable influence on the catalytic activity by virtue of variation of electronic environment of the active centers. The stereoselectivity of the catalysts was consistent for a wide range of reaction conditions, except the formation of a considerable amount of 1,4-trans inserted units at high temperature. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2010.04.002

文献信息

• Synthesis, characterization, and butadiene polymerization of iron(III), iron(II) and cobalt(II) chlorides bearing 2,6-bis(2-benzimidazolyl)pyridyl or 2,6-bis(pyrazol)pyridine ligand
  作者：Dirong Gong、Xiaoyu Jia、Baolin Wang、Xuequan Zhang、Liansheng Jiang

  DOI：10.1016/j.jorganchem.2011.11.025

  日期：2012.4

  and iron(II) (3c*DMF) complexes adopt a distorted octahedral configuration with the equatorial plane formed by the three nitrogen atoms and one chlorine atom, while the iron(II) (3a, 3b and 4a) and cobalt complexes (5a, 5b, 5c and 6c) adopt a trigonal bipyramidal configuration with the equatorial plane formed by the pyridyl nitrogen atoms and the two chlorine atoms. All complexes are evaluated as precursors

  带有中性N，N，N三齿配体的铁（III），铁（II）和钴（II）配合物（Fe（III）L1，1a ; Fe（III）L2，1b ; Fe（III）L3，1c ;的Fe（III）L4，图2a的Fe（III）L5，2B的Fe（III）L6，2C的Fe（II）L1，图3a的Fe（II）L2，3b中的Fe（II）L3，3c中的Fe（ II）L4，图4a的Fe（II）L5，4b中的Fe（II）L6，4C ; COL1，5A ; COL2，5B ; COL3，5C ; COL5，6B和COL6，图6c）已经从金属氯化物合成（的FeCl 3，的FeCL2 ·4H 2 O或CoCl 2），方法是处理相应的配体（2,6-双（苯并咪唑-2-基）吡啶，L1； 2,6-双（1'-乙基苯并咪唑-2'-基）吡啶，L2； 2,6-双（1'-苄基苯并咪唑-2'-基）吡啶L3； 2,6-双（吡唑）吡啶L4； 2,6-双（3-甲基吡唑）吡啶L5或2