Trimethyl-{4,2',5'-tris-[3-(2-methoxy-ethoxy)-2-(2-methoxy-ethoxymethyl)-propoxy]-[1,4';1',1'';4'',1''';4''',1'''';4'''',1''''']sexiphenyl-4'''''-yl}-silane | 711603-58-6

• 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: Trimethyl-{4,2',5'-tris-[3-(2-methoxy-ethoxy)-2-(2-methoxy-ethoxymethyl)-propoxy]-[1,4';1',1'';4'',1''';4''',1'''';4'''',1''''']sexiphenyl-4'''''-yl}-silane
• CAS: 711603-58-6
• 化学式: C₆₉H₉₄O₁₅Si
• 分子量: 1191.58
• InChiKey: MHHJWGQGCCCDBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.53
• 重原子数：
  85.0
• 可旋转键数：
  45.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  138.45
• 氢给体数：
  0.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  Trimethyl-{4,2',5'-tris-[3-(2-methoxy-ethoxy)-2-(2-methoxy-ethoxymethyl)-propoxy]-[1,4';1',1'';4'',1''';4''',1'''';4'''',1''''']sexiphenyl-4'''''-yl}-silane 在 一氯化碘 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 4'''''-Iodo-4,2',5'-tris-[3-(2-methoxy-ethoxy)-2-(2-methoxy-ethoxymethyl)-propoxy]-[1,4';1',1'';4'',1''';4''',1'''';4'''',1''''']sexiphenyl
  参考文献：
  名称：

  Self-Assembling Molecular Trees Containing Octa-p-phenylene:  From Nanocrystals to Nanocapsules

  摘要：

  Tree-shaped molecules consisting of octa-p-phenylene as a stem segment and oligoether dendrons as a flexible head were synthesized and characterized. The molecular tree based on a small flexible head self-assembles into a lamellar structure, whereas the molecule based on a larger headgroup self-assembles into a discrete heptameric bundle that organizes into a 3-D primitive orthorhombic supercrystals, as confirmed by X-ray scatterings and transmission electron microscopic (TEM) observations. Optical studies revealed that the absorption and emission maxima and absorption edge of the 3-D structure shift to higher energy compared to those of the lamellar structure. The molecules in dilute solution (THF/ water = 1:10 v/v) were observed to self-assemble into capsule-like hollow aggregates, as confirmed by dynamic and static light scatterings, scanning electron microscopy (SEM), and TEM investigations. These results demonstrate that tree-shaped molecules are capable of packing into organized discrete nanocrystals with parallel arrangement as well as hollow nanocapsules with radial arrangement, depending on the presence of selective solvents for flexible headgroup.

  DOI：

  10.1021/ja048856h
• 作为产物：
  描述：

  4-trimethylsilylbiphenyl-4'-boronic acid 在 四(三苯基膦)钯 、 一氯化碘 、 三溴化硼 、 sodium carbonate 、 potassium carbonate 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙腈 为溶剂， 反应 124.0h， 生成 Trimethyl-{4,2',5'-tris-[3-(2-methoxy-ethoxy)-2-(2-methoxy-ethoxymethyl)-propoxy]-[1,4';1',1'';4'',1''';4''',1'''';4'''',1''''']sexiphenyl-4'''''-yl}-silane
  参考文献：
  名称：

  Self-Assembling Molecular Trees Containing Octa-p-phenylene:  From Nanocrystals to Nanocapsules

  摘要：

  Tree-shaped molecules consisting of octa-p-phenylene as a stem segment and oligoether dendrons as a flexible head were synthesized and characterized. The molecular tree based on a small flexible head self-assembles into a lamellar structure, whereas the molecule based on a larger headgroup self-assembles into a discrete heptameric bundle that organizes into a 3-D primitive orthorhombic supercrystals, as confirmed by X-ray scatterings and transmission electron microscopic (TEM) observations. Optical studies revealed that the absorption and emission maxima and absorption edge of the 3-D structure shift to higher energy compared to those of the lamellar structure. The molecules in dilute solution (THF/ water = 1:10 v/v) were observed to self-assemble into capsule-like hollow aggregates, as confirmed by dynamic and static light scatterings, scanning electron microscopy (SEM), and TEM investigations. These results demonstrate that tree-shaped molecules are capable of packing into organized discrete nanocrystals with parallel arrangement as well as hollow nanocapsules with radial arrangement, depending on the presence of selective solvents for flexible headgroup.

  DOI：

  10.1021/ja048856h