bis(1,3-di-tert-butylimidazolin-2-iminato)titanium dichloride | 708209-45-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环化合物
• 英文名称: bis(1,3-di-tert-butylimidazolin-2-iminato)titanium dichloride
• 英文别名: (tBu)2(C3H2N2)NTiCl3
• CAS: 708209-45-4
• 化学式: C₁₁H₂₀Cl₃N₃Ti
• 分子量: 348.539
• InChiKey: NWFBAQQMVWNYNL-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  4.23
• 重原子数：
  18.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  22.22
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  lithium 2,6-diisopropylphenolate 、 bis(1,3-di-tert-butylimidazolin-2-iminato)titanium dichloride 以 乙醚 为溶剂， 以50%的产率得到
  参考文献：
  名称：

  含芳氧基配体的咪唑啉-2-亚氨基钛配合物的合成及其在α-烯烃聚合反应中的催化性能

  摘要：

  The synthesis of mixed (aryloxo)(imidazolin-2-inainato)-titanium dichloride complexes is presented. Full characterization of the complexes, including solid-state X-ray diffraction analysis of four complexes, is reported. Their catalytic activity in the polymerization of ethylene, propylene, 1-hexene, and 1-octene was studied. The different substituents at the aryloxo moiety were found to have a substantial impact on the reactivity of the complexes, indicating the need for a balance of steric and electronic effects. The complex (1,3-di-tert-butylimidazolin-2-iminato)(2,6-di-tert-butyl-4-methylphenoxide)-titanium dichloride (1) was found to be the most active in the polymerization of ethylene, whereas the complex (1,3-di-tert-butylimidazolin-2-iminato)(2,6-di-tert-butylphenoxide)titanium dichloride (2) was found to be the most active in the polymerization of propylene. Interestingly, all complexes were more active in the polymerization of propylene than in that of ethylene.

  DOI：

  10.1021/acs.organomet.6b00117
• 作为产物：
  描述：

  四氯化钛 、 1,3-di-tert-butyl-2-(trimethylsilylimino)imidazoline 以 正己烷 为溶剂， 以99%的产率得到bis(1,3-di-tert-butylimidazolin-2-iminato)titanium dichloride
  参考文献：
  名称：

  Titanium complexes with imidazolin-2-iminato ligands

  摘要：

  1,3-二叔丁基咪唑啉-2-亚基与三甲基硅叠氮化物反应生成相应的 N-硅烷化 2-亚氨基咪唑啉，后者与氯化钛（IV）反应生成咪唑啉-2-亚氨基钛络合物。

  DOI：

  10.1039/b401041h