3,3-dihydro-2-methyl-2,4-bis((((2,6-diisopropylphenyl)imino)ethyl)pyridin-2-yl)-1H-1,5-benzodiazepine | 937388-80-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 3,3-dihydro-2-methyl-2,4-bis((((2,6-diisopropylphenyl)imino)ethyl)pyridin-2-yl)-1H-1,5-benzodiazepine
• 英文别名: N-[2,6-di(propan-2-yl)phenyl]-1-[6-[4-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pyridin-2-yl]-2-methyl-1,3-dihydro-1,5-benzodiazepin-2-yl]pyridin-2-yl]ethanimine
• CAS: 937388-80-2
• 化学式: C₄₈H₅₆N₆
• 分子量: 717.013
• InChiKey: KKFJDRBWTRUIPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  54
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,3-dihydro-2-methyl-2,4-bis((((2,6-diisopropylphenyl)imino)ethyl)pyridin-2-yl)-1H-1,5-benzodiazepine 以 乙醇 、 二氯甲烷 为溶剂， 反应 36.0h， 生成
  参考文献：
  名称：

  钴-镍杂金属预催化剂对乙烯反应性的令人沮丧的协同作用：带有2-甲基-2,4-双（6-芳基吡啶并-2-基）-1 H -1,5-苯并二氮杂s的钴及其杂镍配合物†

  摘要：

  一系列的2-甲基-2,4-双（6-芳基吡啶-2-基）-1 H-1,5-苯并二氮杂s与氯化钴反应形成相应的钴配合物，然后使其与氯化镍进一步反应形成其双核杂镍配合物。使用单晶X射线衍射明确地确定了代表性的钴镍复合物之一。通常，所有单核钴复合物和双核钴镍复合物均表现出良好的乙烯反应活性（低聚和聚合），但是，单核钴复合物的活性远高于双核钴镍类似物，这被描述为令人沮丧的协同效应。乙烯低聚中的杂金属配合物 另外，获得的低聚物有时遵循泊松分布。

  DOI：

  10.1039/c6ra13048h

文献信息

• Bimetallic (Iron or Cobalt) Complexes Bearing 2-Methyl-2,4-bis(6-iminopyridin-2-yl)-1<i>H</i>-1,5-benzodiazepines for Ethylene Reactivity
  作者：Shu Zhang、Igor Vystorop、Zhenghua Tang、Wen-Hua Sun

  DOI：10.1021/om070062z

  日期：2007.4.1

  A series of bimetallic (ferrous and cobaltous) complexes ligated by 3,3-dihydro-2-methyl-2,4-bis(6-iminopyridin-2-yl)-1H-1,5-benzodiazepines were synthesized and evaluated as catalysts for ethylene oligomerization and polymerization with high activity and α-olefin selectivity in the presence of modified methylaluminoxane (MMAO).

  合成了一系列由3,3-二氢-2-甲基-2,4-双（6-亚氨基吡啶-2-基）-1 H -1,5-苯并二氮杂连接的双金属（亚铁和钴）配合物在改性甲基铝氧烷（MMAO）存在下，具有高活性和α-烯烃选择性的乙烯低聚和聚合催化剂。
• Unsymmetric bimetal(II) complexes: Synthesis, structures and catalytic behaviors toward ethylene
  作者：Shu Zhang、Wen-Hua Sun、Xiaofei Kuang、Igor Vystorop、Jianjun Yi

  DOI：10.1016/j.jorganchem.2007.08.020

  日期：2007.11

  A series of unsymmetric bimetal(II) (Fe, Co and Ni) complexes ligated by 2-methyl-2,4-bis(6-iminopyridin-2-yl)-1H-1,5-benzodiazepines were synthesized and characterized by IR spectra and elemental analysis, while a representative nickel(II) complex (5a) was determined by single-crystal X-ray crystallography. These iron(II) complexes were found to exhibit good activities for ethylene oligomerization and polymerization in the presence of MMAO and afforded alpha-olefins in high selectivity, and the composition of oligomers followed the Schluz-Flory distribution. The nickel(II) complexes mainly dimerize ethylene with considerable activity. The influences of coordinative ligands and reaction parameters were fully investigated on the catalytic activity and properties of these complexes. (c) 2007 Elsevier B.V. All rights reserved.