5''-[4-(12-bromododecyloxy)phenyl]-5-hexyl-3''-methyl-2,2':5',2''-terthiophene | 1064690-65-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 5''-[4-(12-bromododecyloxy)phenyl]-5-hexyl-3''-methyl-2,2':5',2''-terthiophene
• CAS: 1064690-65-8
• 化学式: C₃₇H₄₉BrOS₃
• 分子量: 685.897
• InChiKey: ZPUADGQUWZSSMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.98
• 重原子数：
  42.0
• 可旋转键数：
  21.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-甲基咪唑 、 5''-[4-(12-bromododecyloxy)phenyl]-5-hexyl-3''-methyl-2,2':5',2''-terthiophene 以 甲苯 为溶剂， 反应 13.0h， 以87%的产率得到1-(12-(4-(5''-hexyl-3-methyl-[2,2':5',2''-terthiophen]-5-yl)phenoxy)dodecyl)-3-methyl-1H-imidazol-3-ium bromide
  参考文献：
  名称：

  An Electrochromic Nanostructured Liquid Crystal Consisting of π-Conjugated and Ionic Moieties

  摘要：

  A new electrochromic molecule comprised of pi-conjugated and ionic moieties has been designed and synthesized. It forms a nanosegregated smectic phase in which ion-conductive layers of imidazolium salts are located between hole transport layers of phenylterthiophene moieties. Electrochromism is observed in the bulk liquid crystal state of this compound without an electrolyte solution. In this nanosegregated smectic phase, an electrical double layer is formed rapidly at the electrode. Consequently holes are injected from the electrode, resulting in oxidation of the pi-conjugated moieties.

  DOI：

  10.1021/ja805339q
• 作为产物：
  描述：

  5-hexyl-5''-[4-(12-hydroxydodecyloxy)phenyl]-3''-methyl-2,2':5',2''-terthiophene 在 三溴化磷 作用下， 以 四氢呋喃 、 正己烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以88%的产率得到5''-[4-(12-bromododecyloxy)phenyl]-5-hexyl-3''-methyl-2,2':5',2''-terthiophene
  参考文献：
  名称：

  An Electrochromic Nanostructured Liquid Crystal Consisting of π-Conjugated and Ionic Moieties

  摘要：

  A new electrochromic molecule comprised of pi-conjugated and ionic moieties has been designed and synthesized. It forms a nanosegregated smectic phase in which ion-conductive layers of imidazolium salts are located between hole transport layers of phenylterthiophene moieties. Electrochromism is observed in the bulk liquid crystal state of this compound without an electrolyte solution. In this nanosegregated smectic phase, an electrical double layer is formed rapidly at the electrode. Consequently holes are injected from the electrode, resulting in oxidation of the pi-conjugated moieties.

  DOI：

  10.1021/ja805339q