{[3-bromo-5-(1,3-dioxolan-2-yl)phenyl]ethynyl}(triisopropyl)silane | 936844-25-6

• 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-bromo-5-(1,3-dioxolan-2-yl)phenyl]ethynyl}(triisopropyl)silane
• CAS: 936844-25-6
• 化学式: C₂₀H₂₉BrO₂Si
• 分子量: 409.439
• InChiKey: WQRCSHAIBLLGTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.06
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  {[3-bromo-5-(1,3-dioxolan-2-yl)phenyl]ethynyl}(triisopropyl)silane 在 Pd(I) dimer pre-catalyst potassium carbonate 、 二异丙胺 、 zinc dibromide 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 {[3-(1,3-dioxolan-2-yl)-5-ethynylphenyl]ethynyl}(triisopropyl)silane
  参考文献：
  名称：

  Covalent Assembly of Molecular Ladders

  摘要：

  [n]-Rung molecular ladders (n = 3-6) have been prepared by reacting discrete, complimentary m-phenylene ethynylene oligomers using imine formation/exchange. The nanostructures, which in the largest case measure approximately 1.6 x 6.2 nm, have been characterized by MALDI mass spectrometry and gel permeation chromatography. Although the ladder structure is a significant component in each case, the formation of higher molecular weight byproducts becomes more pronounced as the length increases. These structures represent an important first step toward the synthesis of larger, more sophisticated two-dimensional molecular grids.

  DOI：

  10.1021/ja0690013
• 作为产物：
  描述：

  3-溴-5-硝基苯甲醛 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 platinum on activated charcoal copper(l) iodide 、 甲酸 、 potassium nitrite 、 氢碘酸 、 对甲苯磺酸 、 三乙胺 作用下， 以 四氢呋喃 、 二甲基亚砜 、 苯 为溶剂， 反应 3.0h， 生成 {[3-bromo-5-(1,3-dioxolan-2-yl)phenyl]ethynyl}(triisopropyl)silane
  参考文献：
  名称：

  Covalent Assembly of Molecular Ladders

  摘要：

  [n]-Rung molecular ladders (n = 3-6) have been prepared by reacting discrete, complimentary m-phenylene ethynylene oligomers using imine formation/exchange. The nanostructures, which in the largest case measure approximately 1.6 x 6.2 nm, have been characterized by MALDI mass spectrometry and gel permeation chromatography. Although the ladder structure is a significant component in each case, the formation of higher molecular weight byproducts becomes more pronounced as the length increases. These structures represent an important first step toward the synthesis of larger, more sophisticated two-dimensional molecular grids.

  DOI：

  10.1021/ja0690013