5-(triethylsilyl)-3,3-bis[(triethylsilyl)ethynyl]pent-4-yn-1-yl pivalate | 1415568-97-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 5-(triethylsilyl)-3,3-bis[(triethylsilyl)ethynyl]pent-4-yn-1-yl pivalate
• CAS: 1415568-97-6
• 化学式: C₃₂H₅₈O₂Si₃
• 分子量: 559.068
• InChiKey: SMAQUBUSERVJAM-UHFFFAOYSA-N

物化性质

• 沸点：
  540.7±50.0 °C(Predicted)
• 密度：
  0.905±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.11
• 重原子数：
  37.0
• 可旋转键数：
  12.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  5-(triethylsilyl)-3,3-bis[(triethylsilyl)ethynyl]pent-4-yn-1-yl pivalate 在 copper(l) iodide 、 四(三苯基膦)钯 、 四丁基氟化铵 、 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 5-(4-acetylphenyl)-3,3-bis((4-acetylphenyl)ethynyl)pent-4-yn-1-yl pivalate
  参考文献：
  名称：

  Triethynylmethane: a molecular unit inducing excimer-like emission in aggregated states of hydrocarbon fluorophores

  摘要：

  We report the synthesis of triethynylmethane (TEM) derivatives substituted with fluorescent aromatic hydrocarbons and the fluorescence properties in dilute aqueous solution and in spin-coated film. Pyrene-tethered TEM derivatives showed excimer-like fluorescence in 80% water in THF and spin-coated film. UV and H-1 NMR analyses showed the aggregation of TEM derivatives. Phenanthrene-tethered TEM also showed excimer-like fluorescence in high water content in THF. These data showed that TEM is a novel molecular unit inducing excimer-like emission in the aggregated states of aromatic hydrocarbon fluorophores. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.10.093
• 作为产物：
  描述：

  在 4-二甲氨基吡啶 、 双氧水 、 三乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 6.0h， 生成 5-(triethylsilyl)-3,3-bis[(triethylsilyl)ethynyl]pent-4-yn-1-yl pivalate
  参考文献：
  名称：

  Triethynylmethane: a molecular unit inducing excimer-like emission in aggregated states of hydrocarbon fluorophores

  摘要：

  We report the synthesis of triethynylmethane (TEM) derivatives substituted with fluorescent aromatic hydrocarbons and the fluorescence properties in dilute aqueous solution and in spin-coated film. Pyrene-tethered TEM derivatives showed excimer-like fluorescence in 80% water in THF and spin-coated film. UV and H-1 NMR analyses showed the aggregation of TEM derivatives. Phenanthrene-tethered TEM also showed excimer-like fluorescence in high water content in THF. These data showed that TEM is a novel molecular unit inducing excimer-like emission in the aggregated states of aromatic hydrocarbon fluorophores. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.10.093