CpTi(OC₆H₃-2,6-i-Pr₂)(Me)Cl | 189184-16-5

• 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: CpTi(OC₆H₃-2,6-i-Pr₂)(Me)Cl
• 英文别名: carbanide;chlorotitanium(3+);cyclopenta-1,3-diene;2,6-di(propan-2-yl)phenolate
• CAS: 189184-16-5
• 化学式: C₁₈H₂₅ClOTi
• 分子量: 340.729
• InChiKey: LFDCEMXGNHMANO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.55
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  23.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  cyclopentadienyl(2,6-di-isopropylphenoxy)titanium dichloride 、 Dimethylzinc 以 四氢呋喃 、 甲苯 为溶剂， 以80%的产率得到CpTi(OC₆H₃-2,6-i-Pr₂)(Me)Cl
  参考文献：
  名称：

  环戊二烯基二氧化钛硫醇盐络合物中的CH和CS键断裂

  摘要：

  制备了硫醇盐配合物CpTi（OC 6 H 3 -2,6- i- Pr 2）（SR）Cl（R = Et，1 ; t- Bu，2 ; CH 2 Ph，3 ; Ph，4）。尝试甲基化1 - 4，从而获得潜在的反应性硫醇盐alkyltitanium衍生物是不成功的。在碱存在下，用1,1-二甲基乙硫醇将CpTi（OC 6 H 3 -2,6- i- Pr 2）（Me）Cl（5）硫醇化，得到CpTi（OC 6 H 3）-2,6-我-Pr 2）（ME）（SCME 3）（6）。类似物种CpTi（OC 6 H 3 -2,6 -i- Pr 2）（Me）（SCH 2 Me）（7）不稳定，释放出甲烷并产生CH键活化的二聚体产物[CpTi（ OC 6 H ^ 3 -2,6-异镨2）（μ-SCHMe）] 2 （8） 。在CpTi（OC 6 H 3 -2,6- i- Pr 2）（SBn）2（9）的相关热解中，二聚体物种[CPTI（μ-S）（OC

  DOI：

  10.1021/om961093p

文献信息

• Ancillary aryloxide ligands in ethylene polymerization catalyst precursors
  作者：Andrea V Firth、Jeffrey C Stewart、Aaron J Hoskin、Douglas W Stephan

  DOI：10.1016/s0022-328x(99)00422-2

  日期：1999.12

  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.
• Firth, Andrea V.; Stephan, Douglas W., Organometallics, 1997, vol. 16, p. 2183 - 2188
  作者：Firth, Andrea V.、Stephan, Douglas W.

  DOI：——

  日期：——