Lithium;2-tert-butyl-4,6-dimethylphenolate | 207740-49-6

• 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: Lithium;2-tert-butyl-4,6-dimethylphenolate
• CAS: 207740-49-6
• 化学式: C₁₂H₁₇O*Li
• 分子量: 184.207
• InChiKey: BTMSKTGJLWRGTK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.32
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  23.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (五甲基环戊二烯基)三氯化钛(IV) 、 Lithium;2-tert-butyl-4,6-dimethylphenolate 以 乙醚 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of Various Nonbridged Titanium(IV) Cyclopentadienyl−Aryloxy Complexes of the Type CpTi(OAr)X₂ and Their Use in the Catalysis of Alkene Polymerization. Important Roles of Substituents on both Aryloxy and Cyclopentadienyl Groups

  摘要：

  Various titanium complexes of the type Cp'Ti(OAr)Cl-2 (Cp' = cyclopentadienyl; OAr = aryloxy) could be prepared in high yields from Cp'TiCl3. These complexes show remarkable catalytic activities for alkene polymerization with MAO or (AlBu3)-Bu-i-Ph3CB(C6F5)(4): (C-5-Me-5)Ti(O-2,6-(Pr2C6H3)-Pr-i)X-2 (X = Cl (2b), Me (8b), CF3-SO3 (9b)) showed the highest activities. The bond angle Ti-O-C (phenyl group) in 2b (173.0 degrees) is significantly different from those for other complexes (162.3-163.1 degrees).

  DOI：

  10.1021/om980106r

文献信息

• Synthesis and structural analysis of aryloxo-modified trinuclear half-titanocenes, and their use as catalyst precursors for ethylene polymerisation
  作者：Qing Yan、Ken Tsutsumi、Kotohiro Nomura

  DOI：10.1039/c7ra07581b

  日期：——

  half-titanocenes, [Cp′TiX2(O-2,4-R2C6H2)-6-CH2}]3N [X = Cl, R = Me, Cp′ = Cp (1); X = Cl, R = tBu, Cp′ = Cp (4), Cp* (5), tBuC5H4 (6), 1,2,4-Me3C5H2 (7); X = Me, Cp′ = Cp*, R = Me (8), tBu (9)] and the related bimetallic complexes, [Cp′TiCl2(O-2,4-Me2C6H2)-6-CH2}][Cp′TiCl(O-2,4-Me2C6H2)-6-CH2}2]N [Cp′ = Cp* (2), 1,2,4-Me3C5H2 (3)], have been prepared and identified. Structures of 1–5, 7 and 9 were determined by

  一系列三核半钛茂[Cp'TiX 2 （O-2,4-R 2 C 6 H 2）-6-CH 2 }] 3 N [X = Cl，R = Me，Cp'= Cp （1）; X = Cl，R = t Bu，Cp'= Cp（4），Cp *（5），t BuC 5 H 4（6），1,2,4-Me 3 C 5 H 2（7）; X = Me，Cp'= Cp *，R = Me（8），t Bu（9）]和相关的双金属配合物[Cp'TiCl 2 （O-2,4-Me2 C 6 H 2）-6-CH 2 }] [Cp'TiCl （O-2,4-Me 2 C 6 H 2）-6-CH 2 } 2 ] N [Cp'= Cp *（ 2） ，1,2,4-Me 3 C 5 H 2（ 3）]的制备和鉴定。的结构1-5， 7和9是由X-射线晶体学确定，并且所有的复合物折叠周围钛扭曲的四面体几何形状。这些复合物（ 2–9）在溶液中是稳定的，除了Cp类似物（