bis(4-tert-butylbenzene-1,2-dioxoborylcyclopentadienyl)zirconium(IV) chloride | 850532-16-0

• 英文名称: bis(4-tert-butylbenzene-1,2-dioxoborylcyclopentadienyl)zirconium(IV) chloride
• 英文别名: [Zr(η5-C5H4(BCAT(t)))2Cl2]；[Zr(η(5)-C5H3(BCAT(t))2Cl2]
• CAS: 850532-16-0
• 化学式: C₃₀H₃₂B₂Cl₂O₄Zr
• 分子量: 640.334
• InChiKey: JLECYJROHOGVCK-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

• 作为反应物：
  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
• 作为产物：
  描述：

  (trimethylsilyl)cyclopentadienyl-4-tert-butyl-1,2-phenylenedioxoborane 、 氯化锆(IV) 以 甲苯 为溶剂， 以74%的产率得到bis(4-tert-butylbenzene-1,2-dioxoborylcyclopentadienyl)zirconium(IV) chloride
  参考文献：
  名称：

  一系列1,2-苯二氧杂硼酸酯基环戊二烯基-金属配合物[Ti（IV），Zr（IV），Hf（IV），La（III），Ce（III），Yb（III），Sn（II）的合成和表征和Fe（II）]

  摘要：

  描述了一系列1,2-苯二氧杂硼酸酯基环戊二烯基-金属配合物的制备。这些是下式的[M {η 5 -C 5 H ^ 4（BX）}氯3 ] [M = Ti和X = CAT（图2a），CAT吨（图2b）或CAT TT（图2c）; X = CAT TT和M = Zr的（图4a）或Hf（图4b）]，[M {η 5 -C 5 H ^ 4（BX）} 2氯2 ] [M =锆，X = CAT（图3a）或CAT吨（3c）; 或M = Hf，X = CAT（3b）或CAT吨（3D）]，[M {（μ-η 5 -C 5 H ^ 3 BCAT）2森达2 }氯2 ] [M = Zr的（图5a）或Hf（图5b）]，[M {η 5 -C 5 ħ 3（BCAT）2 }氯3 ] [M = Zr的（图6a）或Hf（图6b）]，[M {η 5 -C 5 H ^ 4 BCAT} 3（THF）] [M =的La（7a中），铈（图7b）或镱（图7c）]，[Sn的{η

  DOI：

  10.1016/j.ica.2004.10.007