2,6,2',6'-(2,6-diisopropylphenyl)ethylideneamine[4,4']bipyridinyl | 950904-59-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2,6,2',6'-(2,6-diisopropylphenyl)ethylideneamine[4,4']bipyridinyl
• 英文别名: 1-[4-[2,6-bis[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pyridin-4-yl]-6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pyridin-2-yl]-N-[2,6-di(propan-2-yl)phenyl]ethanimine
• CAS: 950904-59-3
• 化学式: C₆₆H₈₄N₆
• 分子量: 961.433
• InChiKey: CCKWEKHLLSHDCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.8
• 重原子数：
  72
• 可旋转键数：
  17
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  75.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,6,2',6'-(2,6-diisopropylphenyl)ethylideneamine[4,4']bipyridinyl 、 cobalt(II) chloride 以 四氢呋喃 为溶剂， 以87%的产率得到[Co2Cl4(2,6,2',6'-(2,6-diisopropylphenyl)ethylideneamine[4,4']bipyridinyl)]
  参考文献：
  名称：

  Synthesis of New Polydentate Nitrogen Ligands and Their Use in Ethylene Polymerization in Conjunction with Iron(II) and Cobalt(II) Bis-halides and Methylaluminoxane

  摘要：

  Original synthetic routes to polydentate nitrogen ligands combining in the same molecular structure either 2,6-bis(imino)pyridine and (imino)pyridine moieties or two 2,6-bis(imino)pyridine units are described. The tris-imino-bis-pyridine ligands (N-Me(5) and N-iPr(5)) and the tetrakis-imino-bis-pyridine ligand (N-iPr(6)) react with FeCl2 and/or CoX2 (X = Cl, Br) to give paramagnetic monometallic, homobimetallic, or heterobimetallic complexes. These have been characterized, both in the solid state and in solution, by a variety of techniques, including single-crystal X-ray diffraction analyses, magnetic susceptibility determinations, IR, vis-NIR, H-1 NMR, and X-band EPR spectroscopies. The combination of these analytical tools has allowed us to unravel the geometrical and electronic structure of quite complicated systems. Selected mono- and binuclear Fe-II and Co-II complexes have been used as catalyst precursors in toluene for the polymerization of ethylene to high-density polyethylene (HDPE) upon activation with MAO. From fairly good to very good catalytic activities (up to 64.5 tons of PE (mol of M)(-1) h(-1)) have been observed. Of particular relevance is the dicobalt complex (N6Co2Cl4)-N-iPr, which is more active than any other known Co-II catalyst for the polymerization of ethylene to HDPE.

  DOI：

  10.1021/om7005062