4,4,5,5-Tetramethyl-2-[2-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethenyl]-1,3,2-dioxaborolane | 1239691-62-3

• 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: 4,4,5,5-Tetramethyl-2-[2-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethenyl]-1,3,2-dioxaborolane
• CAS: 1239691-62-3
• 化学式: C₂₂H₃₂B₂O₄
• 分子量: 382.116
• InChiKey: IPLBOIYJNOXPAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.98
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-碘甲苯 、 4,4,5,5-Tetramethyl-2-[2-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethenyl]-1,3,2-dioxaborolane 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 1,4-bis(4-methylstyryl)benzene
  参考文献：
  名称：

  Folded H-Stacking Polymers by Conformational Control with 2-Substituted Trimethylene Tethers

  摘要：

  Oligomers and polymers of type [-CH2CHRCH2-(pi)-](n) comprising aryl units tethered by 2-substituted trimethylene were found to exist as a folding H-stacking structure in polar solvents such as CH3CN and in film, which was evidenced by their blue-shifted UV absorption compared to that of the parent aryl compounds, and exhibited predominantly excimer-like emission. In addition, annealing of the films resulted in a unique layered structure, which may arise from the folded polymer form.

  DOI：

  10.1021/ma1011057