[1,2-(CH2)10(C5H3)]2TiCl2 | 181864-59-5

• 英文名称: [1,2-(CH2)10(C5H3)]2TiCl2
• CAS: 181864-59-5
• 化学式: C₃₀H₄₆Cl₂Ti
• 分子量: 525.481
• InChiKey: QVAQZUDTANMZKG-UHFFFAOYSA-L

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：

  tetrachlorobis(tetrahydrofuran)titanium(IV) 、 以 四氢呋喃 为溶剂， 以37%的产率得到[1,2-(CH2)10(C5H3)]2TiCl2
  参考文献：
  名称：

  Group 4 metallocene complexes with annulated twelve-membered ring cyclopentadienyl ligands: their synthesis, characterization and catalytic behavior in olefin polymerization

  摘要：

  The synthesis, characterization and olefin polymerization properties of Group 4 compounds {1,2-(CH2)(10)(C5H3)}(2) MCl(2) (M = Ti 5, Zr 6, Hf 7) containing annulated twelve-membered ring cyclopentadienyl ligands are reported. The reactions of lithiated annulated cyclopentadiene (Li[1,2-(CH2)(10)C5H3]) with MCl(4)(THF)(2) (M = Ti, Zr) or HfCl4 in tetrahydrofuran gave new metallocene products in reasonable yields. 6 and 7 have been characterized by single crystal X-ray diffraction studies. The compound 6 [7] crystallizes in the orthorhombic space group P2(1)2(1)2(1)[P2(1)2(1)2(1)], with a = 8.188(1) [8.190(5)] Angstrom, b = 11.371(1) [11.352(5)] Angstrom, c = 30.253(1) [30.177(8)] Angstrom, Z = 4 [4] and V = 2816.6(4) [2805.7] Angstrom(3). Both compounds are isostructural and adopt a distorted tetrahedron around the metal center. The steric crowding of the annulated twelve-membered ring in 6 and 7 is greater than that of the seven-membered ring in {2-Me-4,5-(CH2)(5)Cp}2ZrCl2. The catalytic behavior of the new metallocenes in propylene and ethylene polymerization has been studied in the presence of excess amount of methylaluminoxane.

  DOI：

  10.1016/0022-328x(96)06410-8