| 256394-32-8

• CAS: 256394-32-8
• 化学式: C₂₂H₂₇ClOTi
• 分子量: 390.789
• InChiKey: SBKDXCZDFXASPJ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  二氯二茂钛 、 丙泊酚 在 NEt₃ 作用下， 以 苯 为溶剂， 以62%的产率得到
  参考文献：
  名称：

  Ancillary aryloxide ligands in ethylene polymerization catalyst precursors

  摘要：

  The compounds CpTiCl2(OC6H3-i-Pr-2) (1), CpTiCl(OC6H3-i-Pr-2)(2) (2), CpTi(R)(OC6H3-i-Pr-2)(2) (R = t-Bu 3, s-Bu 4, n-Bu 5, Me 6) have been prepared and characterized. Compounds 1 or 2 in the presence of 500 equivalents of methylaluminoxane (MAO) act as catalyst precursors for ethylene polymerization. While the catalysts derived from the monocyclopentadienyl complexes are much less active that the metallocenes, there is a clear enhancement in the activity of about 40% as a result of the inclusion of a second aryloxide ligand. Reactions of 1 with AlMe3 revealed stepwise formation of CpTi(Me)Cl(OC6H3-i-Pr-2) 7 and CpTi(Me)(2)(OC6H3-i-Pr-2) 8, while subsequent addition of AlMe3 afforded complete conversion to 8, with formation of the aluminum species [AlMe2(OC6H3-i-Pr-2)](n) 9. In contrast, the catecholate complex CpTi(O2C6H4)Cl 10 reacts with AlMe3 yielding the paramagnetic species [CpTi(O-2(C6H4)). AlClMe2], 11. Incorporation of aryloxide ligands in modified metallocenes was readily accomplished with the preparation of Cp2ZrCl(OC6H3-i-Pr-2) 12, Cp2ZrCl(OC6H5) 13, Cp2ZrMe(OC6H5) 14 and Cp2TiCl(OC6H3-i-Pr-2) 15. In combination with MAO, 12, 14 and 15 effect the polymerization of ethylene with an 11% increase in activity over the parent metallocenedichlorides. The implications of the increased activity are considered. Crystallographic data are reported for 2, 3, 6, 9, 11, 12 and 13. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00422-2