[Zr(η(5)-C5H4BMe2)2Cl2] | 175082-41-4

• 英文名称: [Zr(η(5)-C5H4BMe2)2Cl2]
• CAS: 175082-41-4
• 化学式: C₁₄H₂₀B₂Cl₂Zr
• 分子量: 372.065
• InChiKey: RDKYLMGOUPWTAH-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：

  bis(4-tert-butylbenzene-1,2-dioxoborylcyclopentadienyl)zirconium(IV) chloride 在 methylaluminoxane 作用下， 以 甲苯 为溶剂， 生成 [Zr(η(5)-C5H4BMe2)2Cl2]
  参考文献：
  名称：

  Studies on 1,2-phenylenedioxoborylcyclopentadienes and some of their metal (Ti, Zr, Fe) complexes

  摘要：

  Various properties of 1,2-phenylenedioxoborylcyclopentadienes C5H4BO2C6H4-1,2(equivalent to C(5)H(5)BCAT), its 4-Bu (equivalent to C(5)H(5)BCAT(t)) and 3,5-'Bu-2 (equivalent to C(5)H(5)BCAT(tt)) analogues are reported. Under ambient conditions [Zr(eta(5)-C(5)H(4)BCAT)(2)Cl-2](3a) in PhMe was unreactive towards ethene, but in the presence of a large excess of methylaluminoxane (MAO) it catalysed the conversion of propene into a low average molecular weight atactic polypropylene. Whereas various Ti(IV) complexes [Ti(eta(5)-C5H4BX)Cl-3] [BX = BCAT (2a), BCAT(t) (2b), BCAT(tt) (2c)] did not react under these conditions with C2H4, a number of corresponding Zr and Hf analogues, as well as the related metallocene dichlorides, afforded polyethylene of moderate polydispersity and average molecular weight, but were less active than [ZrCP2Cl2]. From B-11 NMR spectral data, it is concluded that the product of treating 3a with MAO is possibly [Zr(eta(5)-C5H4BMe2)(2)Cl-2]. B-11 NMR chemical shifts on the three series of compounds Cl-BX (10a-10c), Me3SiC5H4-BX (1a-1c) and 2a-2c fall within the narrow range 27.2 (2a) to 29.5 (1a) with 10a at 29.0. Cyclic voltammetry on a number of the metal complexes, including 2a-2c, [Zr(eta(5)-C(5)H(4)BCAT(t))(2)Cl-2](3c) and [Fe(eta(5)-C(5)H(4)BCAT(t))(2)](9), showed three reduction waves, but only the first of these was reversible for 3c. For 2a-2c there was evidence for formation of successively [2](-) and solvated TiCl3 (together with oxidation of the anion [C(5)H(4)BCAT](-)); support for these Ti(III) species came from the EPR spectra of the in situ generated species obtained by the controlled potential electrolysis of 2a and comparison with similar data derived from [Ti{eta(5)-C5H3(SiMe3)(2)-1,3}(2)Cl-2]; while from 3c, the formation of [3c](-) is inferred. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.06.051