| 1192833-12-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• CAS: 1192833-12-7
• 化学式: C₃₀H₂₀I₂O
• 分子量: 650.297
• InChiKey: CAAQRAZDNXMXDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.27
• 重原子数：
  33.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  、 Toluene-4-sulfonic acid 2-{2-[2-(2-{2-[2-(2-methoxy-1-methyl-ethoxy)-1-methyl-ethoxy]-1-methyl-ethoxy}-1-methyl-ethoxy)-1-methyl-ethoxy]-1-methyl-ethoxy}-1-methyl-ethyl ester 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 24.0h， 以37.7%的产率得到
  参考文献：
  名称：

  Channel Structures from Self-Assembled Hexameric Macrocycles in Laterally Grafted Bent Rod Molecules

  摘要：

  Internally grafted bent rod molecules consisting of a bent-shaped nona-p-phenylene and different lengths of oligoether chains at the bay position were synthesized and characterized. All of the bent-shaped molecules showed ordered bulk-state structures as characterized by differential scanning calorimetry, X-ray scatterings, and transmission electron microscopy. The bent rod based on a short oligo(propylene oxide) chain self-assembles into a 2-D channel-like columnar structure, whereas the molecules with an intermediate length of flexible chains self-assemble into discrete channels that self-organize into honeycomb layers. A further increase in the length of the flexible chain induces a layered structure. In contrast to the bent-shaped molecules based on a linear chain, the molecules based on a branched chain self-assemble into an inverted 2-D columnar structure with an aromatic core surrounded by branched chains. We proposed the model of the channel structure on the basis of experimental data obtained from X-ray results and density measurements. Within the channels, six bent rods self-assemble into hexameric macrocycles that stack on one another to form channel-like columns where the interiors are filled by the flexible oligoether chains. Remarkably, the elongated channels break up into discrete channels of a well-defined length with increasing length of the oligoether chain. The resulting discrete channels self-organize into a hexagonally ordered honeycomb layer. The defined length of a channel is believed to be responsible for the formation of unique honeycomb layers.

  DOI：

  10.1021/ja907457h
• 作为产物：
  描述：

  在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 以56.5%的产率得到
  参考文献：
  名称：

  Channel Structures from Self-Assembled Hexameric Macrocycles in Laterally Grafted Bent Rod Molecules

  摘要：

  Internally grafted bent rod molecules consisting of a bent-shaped nona-p-phenylene and different lengths of oligoether chains at the bay position were synthesized and characterized. All of the bent-shaped molecules showed ordered bulk-state structures as characterized by differential scanning calorimetry, X-ray scatterings, and transmission electron microscopy. The bent rod based on a short oligo(propylene oxide) chain self-assembles into a 2-D channel-like columnar structure, whereas the molecules with an intermediate length of flexible chains self-assemble into discrete channels that self-organize into honeycomb layers. A further increase in the length of the flexible chain induces a layered structure. In contrast to the bent-shaped molecules based on a linear chain, the molecules based on a branched chain self-assemble into an inverted 2-D columnar structure with an aromatic core surrounded by branched chains. We proposed the model of the channel structure on the basis of experimental data obtained from X-ray results and density measurements. Within the channels, six bent rods self-assemble into hexameric macrocycles that stack on one another to form channel-like columns where the interiors are filled by the flexible oligoether chains. Remarkably, the elongated channels break up into discrete channels of a well-defined length with increasing length of the oligoether chain. The resulting discrete channels self-organize into a hexagonally ordered honeycomb layer. The defined length of a channel is believed to be responsible for the formation of unique honeycomb layers.

  DOI：

  10.1021/ja907457h