1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[12-(tetrahydro-2H-pyranyloxy)dodecyloxy]benzene | 1064690-63-6

• 英文名称: 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[12-(tetrahydro-2H-pyranyloxy)dodecyloxy]benzene
• CAS: 1064690-63-6
• 化学式: C₂₉H₄₉BO₅
• 分子量: 488.516
• InChiKey: DAFADQPAPUCRJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.81
• 重原子数：
  35.0
• 可旋转键数：
  16.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  46.15
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  5''-bromo-5-hexyl-3''-methyl-2,2':5'2''-terthiophene 、 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[12-(tetrahydro-2H-pyranyloxy)dodecyloxy]benzene 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 10.0h， 生成
  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：

  、 异丙醇频哪醇硼酸酯 在 正丁基锂 作用下， 生成 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[12-(tetrahydro-2H-pyranyloxy)dodecyloxy]benzene
  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