(E,E,E)-5-{3,5-bis[2-(5-hexylthiophen-2-yl)vinyl]styryl}thiophene-2-carboxaldehyde | 1385014-55-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (E,E,E)-5-{3,5-bis[2-(5-hexylthiophen-2-yl)vinyl]styryl}thiophene-2-carboxaldehyde
• 英文别名: 5-[(E)-2-[3,5-bis[(E)-2-(5-hexylthiophen-2-yl)ethenyl]phenyl]ethenyl]thiophene-2-carbaldehyde
• CAS: 1385014-55-0
• 化学式: C₃₇H₄₂OS₃
• 分子量: 598.938
• InChiKey: XQQPIJJWOFKJTE-NLCRRHETSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.3
• 重原子数：
  41
• 可旋转键数：
  17
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (E,E,E)-5-{3,5-bis[2-(5-hexylthiophen-2-yl)vinyl]styryl}thiophene-2-carboxaldehyde 、 1,3,5-tris(diethoxyphosphorylmethyl)benzene 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以83%的产率得到2-[(E)-2-[3,5-bis[(E)-2-[5-[(E)-2-[3,5-bis[(E)-2-(5-hexylthiophen-2-yl)ethenyl]phenyl]ethenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]-5-[(E)-2-[3,5-bis[(E)-2-(5-hexylthiophen-2-yl)ethenyl]phenyl]ethenyl]thiophene
  参考文献：
  名称：

  Layer-Block Dendrimers with Alternating Thienylenevinylene and Phenylenevinylene Units

  摘要：

  A series of new hybrid, layer-block pi-conjugated dendrons and dendrimers with alternating thienylenevinylene and phenylenevinylene units has been prepared by means of an orthogonal and convergent-growth methodology that made use of the Horner-Wadsworth-Emmons (HWE) reaction. The placement of the thiophene and benzene rings can be accurately controlled to afford a large variety of dendritic structures, although access to compounds of high generation proved difficult. The optical properties of the synthesized dendrimers were determined by UV/vis and fluorescence spectroscopy, and the influence of the generation and nature of the core on the behavior of these materials was evaluated.

  DOI：

  10.1021/jo301054w
• 作为产物：
  描述：

  5-(1,3-dioxolan-2-yl)thiophene-2-carbaldehyde 、 diethyl (E,E)-3,5-bis[2-(5-hexylthiophen-2-yl)vinyl]benzylphosphonate 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 生成 (E,E,E)-5-{3,5-bis[2-(5-hexylthiophen-2-yl)vinyl]styryl}thiophene-2-carboxaldehyde
  参考文献：
  名称：

  Layer-Block Dendrimers with Alternating Thienylenevinylene and Phenylenevinylene Units

  摘要：

  A series of new hybrid, layer-block pi-conjugated dendrons and dendrimers with alternating thienylenevinylene and phenylenevinylene units has been prepared by means of an orthogonal and convergent-growth methodology that made use of the Horner-Wadsworth-Emmons (HWE) reaction. The placement of the thiophene and benzene rings can be accurately controlled to afford a large variety of dendritic structures, although access to compounds of high generation proved difficult. The optical properties of the synthesized dendrimers were determined by UV/vis and fluorescence spectroscopy, and the influence of the generation and nature of the core on the behavior of these materials was evaluated.

  DOI：

  10.1021/jo301054w