trifluoro(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacene-4-yl)silane | 960079-29-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: trifluoro(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacene-4-yl)silane
• CAS: 960079-29-2
• 化学式: C₂₈H₄₅F₃Si
• 分子量: 466.746
• InChiKey: MUDRQZIVPGAWBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.78
• 重原子数：
  32.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.79
• 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：

  trifluoro(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacene-4-yl)silane 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以2.66 g的产率得到(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)silane
  参考文献：
  名称：

  Coplanar Oligo(p-phenylenedisilenylene)s Based on the Octaethyl-Substituted s-Hydrindacenyl Groups

  摘要：

  The silicon analogues of the oligo(p -phenylenevinylene)s (Si-OPVs) with highly planar structures have been synthesized using a newly developed ligand, the 1,1,3,3,5,5,7,7-octaethyl-s -hydrindacen-4-yl (Eind) group. Their X-ray crystal structures and spectroscopic data demonstrate that the pi-conjugation effectively extends over the Si-OPV framework. Notably, tetrasiladistyrylbenzene exhibits an orange fluorescence even at room temperature both in solution and in the solid state, which is attributable to the effective extension of conjugation. To the best of our knowledge, the tetrasiladistyrylbenzene is the first emissive Si=Si derivative even at room temperature.

  DOI：

  10.1021/ja0764207
• 作为产物：
  描述：

  4-溴-1,1,3,3,5,5,7,7-八乙基-1,2,3,5,6,7-六氢对称引达省 在 正丁基锂 、 silicon tetrafluoride 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.5h， 生成 trifluoro(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacene-4-yl)silane
  参考文献：
  名称：

  Coplanar Oligo(p-phenylenedisilenylene)s Based on the Octaethyl-Substituted s-Hydrindacenyl Groups

  摘要：

  The silicon analogues of the oligo(p -phenylenevinylene)s (Si-OPVs) with highly planar structures have been synthesized using a newly developed ligand, the 1,1,3,3,5,5,7,7-octaethyl-s -hydrindacen-4-yl (Eind) group. Their X-ray crystal structures and spectroscopic data demonstrate that the pi-conjugation effectively extends over the Si-OPV framework. Notably, tetrasiladistyrylbenzene exhibits an orange fluorescence even at room temperature both in solution and in the solid state, which is attributable to the effective extension of conjugation. To the best of our knowledge, the tetrasiladistyrylbenzene is the first emissive Si=Si derivative even at room temperature.

  DOI：

  10.1021/ja0764207