(methyl)(phenyl)bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane | 1227490-66-5

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: (methyl)(phenyl)bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
• 英文别名: SiMePh(C5Me4)2；Methyl-phenyl-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane；methyl-phenyl-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
• CAS: 1227490-66-5
• 化学式: C₂₅H₃₄Si
• 分子量: 362.63
• InChiKey: FBIBEPWFIQXUHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.09
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  四氢呋喃氯化钛 、 (methyl)(phenyl)bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane 在 n-BuLi 、 aq. HCl 作用下， 以 四氢呋喃 为溶剂， 以16%的产率得到[Ti{MePhSi(η⁵-C₅Me₄)₂}Cl₂]
  参考文献：
  名称：

  Dinuclear titanium complexes with methylphenylsilylene bridge between cyclopentadienyl rings. Synthesis, characterization and reactivity towards ethylene

  摘要：

  The new ansa-titanocene dichloride [{(SiMePh)(eta(5)-C(5)H(4))(2)}TiCl(2)] (1) was prepared by one pot reaction, whereas synthesis of its methylated analogue [{(SiMePh)(eta(5)-C(5)Me(4))(2)} TiCl(2)] (3) was performed in two steps with isolation of corresponding silane intermediate SiMePh(HC(5)Me(4))(2) (2). The reaction of 1 and 3 with TiCl(4) afforded the dinuclear complexes [(SiMePh){(eta(5)-C(5)R(4))TiCl(3)}(2)] (R= H (4) and R = Me (5)). The catalysts formed from 4 and 5 after their activation with excess MAO exhibited a modest activity in ethylene polymerization. The polymer products consisted of high molar mass linear polyethylenes with a broad molar mass distribution. The presence of three paramagnetic titanium species in the mixture 4/MAO was revealed by EPR spectroscopy. All new prepared compounds 1-5 were characterized by multinuclear NMR, EI-MS, IR, and solid-state structures of 1, 3 and 5 were determined by X-ray single crystal diffraction. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.01.037
• 作为产物：
  描述：

  甲基苯基二氯硅烷 、 alkaline earth salt of/the/ methylsulfuric acid 在 正丁基锂 、 六甲基磷酰三胺 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 31.0h， 以85%的产率得到(methyl)(phenyl)bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
  参考文献：
  名称：

  Dinuclear titanium complexes with methylphenylsilylene bridge between cyclopentadienyl rings. Synthesis, characterization and reactivity towards ethylene

  摘要：

  The new ansa-titanocene dichloride [{(SiMePh)(eta(5)-C(5)H(4))(2)}TiCl(2)] (1) was prepared by one pot reaction, whereas synthesis of its methylated analogue [{(SiMePh)(eta(5)-C(5)Me(4))(2)} TiCl(2)] (3) was performed in two steps with isolation of corresponding silane intermediate SiMePh(HC(5)Me(4))(2) (2). The reaction of 1 and 3 with TiCl(4) afforded the dinuclear complexes [(SiMePh){(eta(5)-C(5)R(4))TiCl(3)}(2)] (R= H (4) and R = Me (5)). The catalysts formed from 4 and 5 after their activation with excess MAO exhibited a modest activity in ethylene polymerization. The polymer products consisted of high molar mass linear polyethylenes with a broad molar mass distribution. The presence of three paramagnetic titanium species in the mixture 4/MAO was revealed by EPR spectroscopy. All new prepared compounds 1-5 were characterized by multinuclear NMR, EI-MS, IR, and solid-state structures of 1, 3 and 5 were determined by X-ray single crystal diffraction. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.01.037

文献信息

• Dinuclear titanium complexes with methylphenylsilylene bridge between cyclopentadienyl rings. Synthesis, characterization and reactivity towards ethylene
  作者：Michal Horáček、Róbert Gyepes、Jan Merna、Jiří Kubišta、Karel Mach、Jiří Pinkas

  DOI：10.1016/j.jorganchem.2010.01.037

  日期：2010.5

  The new ansa-titanocene dichloride [(SiMePh)(eta(5)-C(5)H(4))(2)}TiCl(2)] (1) was prepared by one pot reaction, whereas synthesis of its methylated analogue [(SiMePh)(eta(5)-C(5)Me(4))(2)} TiCl(2)] (3) was performed in two steps with isolation of corresponding silane intermediate SiMePh(HC(5)Me(4))(2) (2). The reaction of 1 and 3 with TiCl(4) afforded the dinuclear complexes [(SiMePh)(eta(5)-C(5)R(4))TiCl(3)}(2)] (R= H (4) and R = Me (5)). The catalysts formed from 4 and 5 after their activation with excess MAO exhibited a modest activity in ethylene polymerization. The polymer products consisted of high molar mass linear polyethylenes with a broad molar mass distribution. The presence of three paramagnetic titanium species in the mixture 4/MAO was revealed by EPR spectroscopy. All new prepared compounds 1-5 were characterized by multinuclear NMR, EI-MS, IR, and solid-state structures of 1, 3 and 5 were determined by X-ray single crystal diffraction. (C) 2010 Elsevier B.V. All rights reserved.