η5-cyclopentadienyl[N-(2-methylquinolin-8-yl)benzamide]titanium dichloride | 1227096-15-2

• 英文名称: η5-cyclopentadienyl[N-(2-methylquinolin-8-yl)benzamide]titanium dichloride
• CAS: 1227096-15-2
• 化学式: C₂₂H₁₈Cl₂N₂OTi
• 分子量: 445.184
• InChiKey: HAMDJIBBGQRISV-UHFFFAOYSA-K

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：

  三氯一茂钛 、 N-(2-甲基喹啉-8-基)苯甲酰胺 在 KH 作用下， 以 tetrahydrofuran 为溶剂， 以77.2%的产率得到η5-cyclopentadienyl[N-(2-methylquinolin-8-yl)benzamide]titanium dichloride
  参考文献：
  名称：

  Syntheses, Characterization, and Ethylene (Co-)Polymerization Screening of Amidate Half-Titanocene Dichlorides

  摘要：

  A series of amidate half-titanocene dichlorides, Cp/TiLCl(2) [Cp' = Cp (as eta(5)-C(5)H(5)) or Cp* (as eta(5)-C(5)Me(5)), L = N-(2-methylquinolin-8-yl)-p-R-benzamides; C1: Cp' = Cp, R = OMe; C2: Cp' = Cp, R = Me; C3: Cp' = Cp, R = H; C4: Cp' = Cp, R = F; C5: Cp' = Cp, R = Cl; C6: Cp' = Cp*, R = OMe; C7: Cp' = Cp*, R = Me], have been synthesized by the stoichiometric reaction of Cp'TiCl(3) with the corresponding potassium amidates. All complexes are fully characterized by elemental and NMR analyses. The molecular structures of complexes C2 and C4 are confirmed by single-crystal X-ray diffraction, and the amidate moieties coordinate the titanium center by imino and alkoxide groups. The systems C1-C7/MAO show much higher activities toward ethylene polymerization than CpTiCl(3)/MAO or Cp*TiCl(3)/MAO systems. The procatalysts (C6 and C7) bearing a Cp* ligand exhibit higher activities than their analogues (C1-C5) containing a Cp ligand, while the amidate ligands containing electron-donating groups positively affect the catalytic behavior. Both increasing the ratio of MAO to titanium and reducing reaction temperature enhance the productivities; however, the molecular weights of the resultant polymers decrease with higher activities. Moreover, the C6/MAO system performs with high activity in the copolymerization of ethylene and 1-hexene or 1-octene.

  DOI：

  10.1021/om1000748