3,5-bis(dimethylhexylsilylethynyl)bromobenzene | 1337985-16-6

• 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: 3,5-bis(dimethylhexylsilylethynyl)bromobenzene
• CAS: 1337985-16-6
• 化学式: C₂₆H₄₁BrSi₂
• 分子量: 489.687
• InChiKey: XLTIRQUHGLVRAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.81
• 重原子数：
  29.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  1,3,6,8-四乙炔基芘 、 3,5-bis(dimethylhexylsilylethynyl)bromobenzene 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 二异丙胺 、 三苯基膦 作用下， 以 甲苯 为溶剂， 反应 48.0h， 以8.1%的产率得到1,3,6,8-tetrakis[3,5-bis(dimethylhexylsilylethynyl)phenylethynyl]pyrene
  参考文献：
  名称：

  Synthesis and Hole Transport Properties of Highly Soluble Pyrene-Based Discotic Liquid Crystals with Trialkylsilylethynyl Groups

  摘要：

  Four pyrene-based discotic compounds with trialkylsilylethynyl groups in the side chains were prepared and characterized by differential scanning calorimetry, polarizing optical microscopy, and X-ray diffraction measurements. All of the compounds were highly soluble in organic solvents, and two of the compounds exhibited a columnar phase, Colr, and the others were crystalline. The hole transport ability in the liquid-crystalline phases was determined by the time-of-flight (TOF) method to be on the order of 10-2cm2V-1s-1, the highest hole mobilities for pyrene derivatives yet observed.

  DOI：

  10.1080/15421406.2011.536485
• 作为产物：
  描述：

  1,3,5-三溴苯 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 乙基溴化镁 、 水 、 二异丙胺 、 三苯基膦 、 potassium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 45.25h， 生成 3,5-bis(dimethylhexylsilylethynyl)bromobenzene
  参考文献：
  名称：

  Synthesis and Hole Transport Properties of Highly Soluble Pyrene-Based Discotic Liquid Crystals with Trialkylsilylethynyl Groups

  摘要：

  Four pyrene-based discotic compounds with trialkylsilylethynyl groups in the side chains were prepared and characterized by differential scanning calorimetry, polarizing optical microscopy, and X-ray diffraction measurements. All of the compounds were highly soluble in organic solvents, and two of the compounds exhibited a columnar phase, Colr, and the others were crystalline. The hole transport ability in the liquid-crystalline phases was determined by the time-of-flight (TOF) method to be on the order of 10-2cm2V-1s-1, the highest hole mobilities for pyrene derivatives yet observed.

  DOI：

  10.1080/15421406.2011.536485