N-ethyl-N-[[4-[2-[11-[2-[4-[2-[11-[2-tri(propan-2-yl)silylethynyl]-10-tricyclo[4.3.2.01,6]undeca-2,4,10-trienyl]ethynyl]phenyl]ethynyl]-10-tricyclo[4.3.2.01,6]undeca-2,4,10-trienyl]ethynyl]phenyl]diazenyl]ethanamine | 862135-37-3

• 分子结构分类: 有机化合物
• 英文名称: N-ethyl-N-[[4-[2-[11-[2-[4-[2-[11-[2-tri(propan-2-yl)silylethynyl]-10-tricyclo[4.3.2.01,6]undeca-2,4,10-trienyl]ethynyl]phenyl]ethynyl]-10-tricyclo[4.3.2.01,6]undeca-2,4,10-trienyl]ethynyl]phenyl]diazenyl]ethanamine
• CAS: 862135-37-3
• 化学式: C₅₅H₅₉N₃Si
• 分子量: 790.179
• InChiKey: LGRUYQZZOHPMEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.19
• 重原子数：
  59
• 可旋转键数：
  15
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  28
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-ethyl-N-[[4-[2-[11-[2-[4-[2-[11-[2-tri(propan-2-yl)silylethynyl]-10-tricyclo[4.3.2.01,6]undeca-2,4,10-trienyl]ethynyl]phenyl]ethynyl]-10-tricyclo[4.3.2.01,6]undeca-2,4,10-trienyl]ethynyl]phenyl]diazenyl]ethanamine 在 碘甲烷 作用下， 反应 24.0h， 以90%的产率得到(9-{4-[9-(4-Iodo-phenylethynyl)-2,3-dihydro-1H-3a,7a-etheno-inden-8-ylethynyl]-phenylethynyl}-2,3-dihydro-1H-3a,7a-etheno-inden-8-ylethynyl)-triisopropyl-silane
  参考文献：
  名称：

  Gas-Phase Generation of Highly Reactive Hexatriyne-Bridged [6_n]Paracyclophynes

  摘要：

  [6(n)]Paracyclophenediynes 2a-d (n = 3-6) having [4.3.2]-propellatriene units were prepared as precursors of the corresponding [6n]paracyclophynes. Laser irradiation of 2a-d produced the negative ions of [6n]paracyclophynes 1a-d (n = 3-6) by extrusion of the indan fragments, which were detected by time-of-flight mass spectrometry.

  DOI：

  10.1021/jo050833d
• 作为产物：
  描述：

  10-ethynyl-11-[(triisopropylsilyl)ethynyl][4.3.2]propella-2,4,10-triene 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 四(三苯基膦)钯 三乙胺 、 碘甲烷 作用下， 反应 19.0h， 生成 N-ethyl-N-[[4-[2-[11-[2-[4-[2-[11-[2-tri(propan-2-yl)silylethynyl]-10-tricyclo[4.3.2.01,6]undeca-2,4,10-trienyl]ethynyl]phenyl]ethynyl]-10-tricyclo[4.3.2.01,6]undeca-2,4,10-trienyl]ethynyl]phenyl]diazenyl]ethanamine
  参考文献：
  名称：

  Gas-Phase Generation of Highly Reactive Hexatriyne-Bridged [6_n]Paracyclophynes

  摘要：

  [6(n)]Paracyclophenediynes 2a-d (n = 3-6) having [4.3.2]-propellatriene units were prepared as precursors of the corresponding [6n]paracyclophynes. Laser irradiation of 2a-d produced the negative ions of [6n]paracyclophynes 1a-d (n = 3-6) by extrusion of the indan fragments, which were detected by time-of-flight mass spectrometry.

  DOI：

  10.1021/jo050833d