3-phenyl-1-(trimethylsilyl)indene | 176247-89-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 3-phenyl-1-(trimethylsilyl)indene
• 英文别名: trimethyl-(3-phenyl-1H-inden-1-yl)silane
• CAS: 176247-89-5
• 化学式: C₁₈H₂₀Si
• 分子量: 264.442
• InChiKey: AODDUEDCJOMMLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.09
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 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：

  3-phenyl-1-(trimethylsilyl)indene 、 四氯化钛 以 二氯甲烷 为溶剂， 以46%的产率得到(1-phenylindenyl)trichlorotitanium
  参考文献：
  名称：

  苯乙烯立体定向聚合的高度稳定催化剂

  摘要：

  描述了八种新型催化剂前体的合成，并将它们在甲基铝氧烷（MAO）活化时对间同苯乙烯聚合的催化作用与IndTiCl 3进行了比较。苯基取代以1,3-Ph 2 Ind <2-PhInd <1-PhInd的顺序增加聚合活性（A）；间规聚苯乙烯（s -PS）的收率（SY）观察到相反的趋势。最佳聚合温度（T p）为50°C；T p的增加会降低A- SY和s -PS的分子量（MW）。奔驰[ e ] IndTiCl 3（6a）以及2-甲基（6b）和1,2,3-三甲基（11）衍生物已经合成。配合物6a / MAO和6b / MAO的A≈1.8×10 8 g PS /（Ti摩尔·苯乙烯·h摩尔）的极高值，周转率为450 s - 1，SY超过92％， MW≈5×10 5。这些参数在T p = 100°C时仅略有降低，表明其具有非常高的热稳定性和催化活性。这些催化剂前体在溶液中对空气和水分的稳定作用长达48小时，并在固态中无限稳定。虽然11

  DOI：

  10.1021/om950990a
• 作为产物：
  描述：

  苯基溴化镁 在 正丁基锂 作用下， 生成 3-phenyl-1-(trimethylsilyl)indene
  参考文献：
  名称：

  Dications of 3-Phenyl-indenylidene Dibenzo[a.d]cycloheptene: The Role of Charge in the Antiaromaticity of Cationic Systems

  摘要：

  Dications of 9-(3-phenyl-1H-inden-1-ylidene)-5H-dibenzo[a,d]cycloheptene, 5(2+), were prepared by oxidation with SbF5 in SO2CIF, and their magnetic behavior was compared to dications of 9-(3-phenyl-1H-inden-1-ylidene)-9H-fluorene, 2(2+). The good correlation between the experimental H-1 NMR shifts for the dications that were oxidized cleanly and the chemical shifts calculated by the GAIO method supported the use of the nucleus independent chemical shifts, NICS, to evaluate the antiaromaticity of the indenyl systems of 2(2+)/5(2+) and their unsubstituted parent compounds, 6(2+) and 7(2+), as well as the antiaromaticity of the fluorenyl system of 2(2+)/7(2+) and the aromaticity of the dibenzotropylium system of 5(2+)/6(2+). Antiaromaticity was shown to be directly related to the amount of charge in the antiaromatic systems, with the antiaromatic systems more responsive to changes in the calculated NBO charge than the aromatic systems. The antiaromaticity was also shown to be directly related to the amount of delocalization in the ring system. The aromaticity of the dibenzotropylium system was much less responsive to changes in the amount of charge in the tropylium system, because the aromatic system was much more completely delocalized. Thus, antiaromatic species are more sensitive probes of delocalization than aromatic ones.

  DOI：

  10.1021/jo102220y