trichloro-(2,6-ditertbutyl)phenoxotitanium(IV) | 154972-82-4

• 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: trichloro-(2,6-ditertbutyl)phenoxotitanium(IV)
• 英文别名: TiCl3(2,6-t-Bu2C6H5O)；2,6-Ditert-butylphenolate;titanium(4+);trichloride；2,6-ditert-butylphenolate;titanium(4+);trichloride
• CAS: 154972-82-4
• 化学式: C₁₄H₂₁Cl₃OTi
• 分子量: 359.559
• InChiKey: LKSCBOFFBBNHBG-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  6.19
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  23.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  四氯化钛 、 sodium 2,6-di-tert-butylphenoxide 以 甲苯 为溶剂， 以65%的产率得到trichloro-(2,6-ditertbutyl)phenoxotitanium(IV)
  参考文献：
  名称：

  三氯-（2,6-二叔丁基苯氧基）-钛（IV）：合成与X射线结构

  摘要：

  摘要Na（2,6- t Bu 2 -C 6 H 3 O）与TiCl 4在甲苯中的反应生成了TiCl 3（2,6-t Bu-C 6 H 3 O）（化合物1）。通过将产物在烃类溶剂中升华或冷却至-20°C，可获得适用于X射线衍射分析的深红色晶体。结构分析表明，化合物1为单体，钛原子占据了扭曲的四面体环境，周围环绕着三个氯化物和一个庞大的苯氧基。配合物的TiOAr键非常短，表明存在TiO多重键。

  DOI：

  10.1016/0277-5387(95)00092-7

文献信息

• Ethylene/1-hexene copolymerization with MgCl2-supported Ziegler–Natta catalysts containing aryloxy ligands. Part I: Catalysts prepared by immobilizing TiCl3(OAr) onto MgCl2 in batch reaction
  作者：Shengjie Xia、Zhisheng Fu、Biao Huang、Junting Xu、Zhiqiang Fan

  DOI：10.1016/j.molcata.2011.12.010

  日期：2012.3

  Novel aryloxy-containing MgCl2-supported Ziegler-Natta catalysts were prepared by treating TiCl3(OAr) (Ar = C6H5-, 2,6-Me2C6H3-, 2,6-i-Pr2C6H3-, 2,6-t-Bu2C6H3-) with MgCl2 in batch reaction. The influences of aryloxy group on the titanium content and aryloxy/Ti molar ratio in the catalysts was investigated. Because of ligand exchanges between the immobilized titanium species and TiCl3(OAr) in the solution, the aryloxy/Ti molar ratio in these catalysts were less than 1. Using triethylaluminum (TEA) or triisobutylaluminum (TIBA) as cocatalyst, these catalysts showed different catalytic behaviors in ethylene-1-hexene copolymerization. Using TIBA as cocatalyst, the aryloxy-containing catalysts showed higher activity than a TiCl4/MgCl2 blank catalyst. Although the total 1-hexene incorporation of the copolymers prepared by the novel catalysts were lower than that of the blank system, the difference in 1-hexene content between the boiling n-heptane soluble part and the insoluble part was markedly lower, and the blockiness of comonomer sequence distribution was evidently higher. The TIBA activated aryloxy-containing catalysts were found to produce poly(ethylene-co-1-hexene) with more uniform chemical composition distribution. (C) 2012 Elsevier B.V. All rights reserved.
• Trichloro-(2,6-ditertbutylphenoxo)-titanium(IV): synthesis and X-ray structure
  作者：L. Matilainen、M. Klinga、M. Leskelä

  DOI：10.1016/0277-5387(95)00092-7

  日期：1996.1

  Abstract The reaction of Na(2,6- t Bu 2 -C 6 H 3 O) with TiCl 4 in toluene gave TiCl 3 (2,6- t Bu-C 6 H 3 O) (compound 1 ). Dark red crystals suitable for X-ray diffraction analysis were obtained by sublimation or cooling the product in hydrocarbon solvent to −20°C. Structural analysis showed that compound 1 is monomeric and titanium atom occupies the distorted tetrahedral environment surrounded by

  摘要Na（2,6- t Bu 2 -C 6 H 3 O）与TiCl 4在甲苯中的反应生成了TiCl 3（2,6-t Bu-C 6 H 3 O）（化合物1）。通过将产物在烃类溶剂中升华或冷却至-20°C，可获得适用于X射线衍射分析的深红色晶体。结构分析表明，化合物1为单体，钛原子占据了扭曲的四面体环境，周围环绕着三个氯化物和一个庞大的苯氧基。配合物的TiOAr键非常短，表明存在TiO多重键。