bis(5-(1,2,2-tris(5-(trimethylsilyl)thiophen-2-yl)vinyl)thiophen-2-yl)methanone | 1416788-98-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: bis(5-(1,2,2-tris(5-(trimethylsilyl)thiophen-2-yl)vinyl)thiophen-2-yl)methanone
• 英文别名: Bis[5-[1,2,2-tris(5-trimethylsilylthiophen-2-yl)ethenyl]thiophen-2-yl]methanone
• CAS: 1416788-98-1
• 化学式: C₅₅H₇₀OS₈Si₆
• 分子量: 1172.2
• InChiKey: KOBICJAQPLGHOW-UHFFFAOYSA-N

物化性质

• 熔点：
  177-178 °C
• 沸点：
  908.9±65.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  16.7
• 重原子数：
  70
• 可旋转键数：
  16
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  243
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  bis(5-(1,2,2-tris(5-(trimethylsilyl)thiophen-2-yl)vinyl)thiophen-2-yl)methanone 在 吡啶 、 四氯化钛 、 锌 作用下， 以 四氢呋喃 为溶剂， 反应 72.0h， 以60.3%的产率得到1,1,2,2-tetrakis(5-(1,2,2-tris(5-(trimethylsilyl)thiophen-2-yl)vinyl)thiophen-2-yl)ethene
  参考文献：
  名称：

  Synthesis of Dendrimers Based on Tetrakis(thiophene-2-yl)ethene as New Dendron

  摘要：

  Two novel dendrimers, 16T and 20T, based on 1,1,2,2-tetra(thiophen-2-yl)ethene (4T) as a new dendron, were efficiently synthesized via carbonylation, Suzuki, and McMurry reactions. All intermediates and title compounds were fully characterized by H-1 NMR, C-13 NMR, and HRMS. 4T and 16T were confirmed by X-ray single crystal analyses. In addition, the absorption behaviors of two titled dendrimers are also described.

  DOI：

  10.1021/ol303300w
• 作为产物：
  描述：

  bis(5-(trimethylsilyl)thiophen-2-yl)methanone 在 吡啶 、 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 、 四氯化钛 、 溶剂黄146 、 锌 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 、 氯仿 为溶剂， 反应 76.5h， 生成 bis(5-(1,2,2-tris(5-(trimethylsilyl)thiophen-2-yl)vinyl)thiophen-2-yl)methanone
  参考文献：
  名称：

  Synthesis of Dendrimers Based on Tetrakis(thiophene-2-yl)ethene as New Dendron

  摘要：

  Two novel dendrimers, 16T and 20T, based on 1,1,2,2-tetra(thiophen-2-yl)ethene (4T) as a new dendron, were efficiently synthesized via carbonylation, Suzuki, and McMurry reactions. All intermediates and title compounds were fully characterized by H-1 NMR, C-13 NMR, and HRMS. 4T and 16T were confirmed by X-ray single crystal analyses. In addition, the absorption behaviors of two titled dendrimers are also described.

  DOI：

  10.1021/ol303300w

文献信息

• Synthesis and molecular properties of butterfly-shaped tetrathiophene derivatives
  作者：Jinsheng Song、Tianjing Wu、Xueqian Zhao、Yuhe Kan、Hua Wang

  DOI：10.1016/j.tet.2015.02.004

  日期：2015.3

  molecules were designed and synthesized with the branched tetrakis(thiophene-2-yl)ethene or the planar naphthotetrathiophene as the donors and dicyanovinylene as the acceptor. Owing to the donor–acceptor conjugated structures, these molecules exhibited broad and strong absorbance in the UV–vis region. Their electrochemical and photophysical properties were studied; in addition, the UV–vis behaviors were

  以支化四（噻吩-2-基）乙烯或平面萘四噻吩为供体，双氰基亚乙烯基为受体，设计合成了四个交叉共轭的蝴蝶状分子。由于供体-受体的共轭结构，这些分子在紫外可见区域表现出宽而强的吸收。研究了它们的电化学和光物理性质。此外，还通过DFT计算来描述UV-vis行为，以进一步了解不同吸收带的起源，并且在给定的自然跃迁轨道中从基态到激发态的光学跃迁中，观察到了有效的电荷转移。最后，