[TiCl(μ-OCH3)(2,2'-methylenebis(6-tert-butyl-4-methylphenolato)]2 | 1078737-86-6

• 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: [TiCl(μ-OCH3)(2,2'-methylenebis(6-tert-butyl-4-methylphenolato)]2
• 英文别名: 2-Tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl]-4-methylphenolate;chlorotitanium(3+);methanolate
• CAS: 1078737-86-6
• 化学式: C₄₈H₆₆Cl₂O₆Ti₂
• 分子量: 905.714
• InChiKey: MAFSYDVLOFGKPU-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  58
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  138
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  methylenebis(6-tert-butyl-4-methylphenoxy-2-yl) dichlorotitanium(IV) 、 三甲基铝 、 氧气 以 正己烷 、 甲苯 为溶剂， 以21%的产率得到[TiCl(μ-OCH3)(2,2'-methylenebis(6-tert-butyl-4-methylphenolato)]2
  参考文献：
  名称：

  Facile Formation of Hexacyclic [Al ₃ O ₂ Cl] Aluminum and Alkoxide‐Bridged Titanium Complexes: Reactions of AlMe ₃ with [Ti(L)Cl ₂ ] [L = 2,2′‐Methylenebis(6‐ tert ‐butyl‐4‐methylphenolato)]

  摘要：

  AbstractThe titanium dichloride complex [(L)TiCl2] [L = 2,2′‐methylenebis(6‐tert‐butyl‐4‐methylphenolato)] (1) reacted with trimethylaluminum (AlMe3) in a 1:2 ratio to give a trimetallic aluminum complex of the composition [(L)(AlMe2)3(μ‐Cl)] (2) with a symmetric six‐membered ring [Al3(μ2‐O)2(μ2‐Cl)] and a four‐coordinate aluminum center in the solid state. The reaction of 1 equiv. AlMe3 gave [(L)TiMeCl] (3), which could absorb O2 gas to afford the oxygen‐insertion product [{(L)TiCl}2(μ‐OMe)2] (4) with a five‐coordinate metal center. Upon reaction of H2L with AlMe3, the binuclear, four‐coordinate adduct [{(L)AlMe}2] (5) was formed. Complex 4 supported on MgCl2 and activated with aluminum alkyls reveals high catalytic activity for ethylene polymerization to produce polymers with molecular weight distributions of ca. 3.1. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)

  DOI：

  10.1002/ejic.200601227