2,6-dideuterio-3,4,5-tridodecyloxybenzaldehyde | 664340-90-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,6-dideuterio-3,4,5-tridodecyloxybenzaldehyde
• 英文别名: 2,6-Dideuterio-3,4,5-tridodecoxybenzaldehyde；2,6-dideuterio-3,4,5-tridodecoxybenzaldehyde
• CAS: 664340-90-3
• 化学式: C₄₃H₇₈O₄
• 分子量: 661.074
• InChiKey: ABDPYSIFPMBTOS-GBUFKYBTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18
• 重原子数：
  47
• 可旋转键数：
  37
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,3,5-tris(diethoxyphosphorylmethyl)benzene 、 2,6-dideuterio-3,4,5-tridodecyloxybenzaldehyde 生成 all-(E)-1,3,5-tris[2-(2,6-dideuterio-3,4,5-tridodecyloxyphenyl)ethenyl]benzene
  参考文献：
  名称：

  Photochemistry and Mobility of Stilbenoid Dendrimers in Their Neat Phases

  摘要：

  Selectively deuterated, dodecyloxy substituted stilbenoid dendrimers of the first and second generation were synthesized by a convergent synthesis, using the Wittig-Horner reaction. The photochemistry and the fluorescence in the different crystalline and liquid crystalline phases were investigated. Molecules deuterated at the alpha-position of the alkoxy chains were used to study the photoreactions in the neat phases by H-1 NMR. Reactions of the double bonds are exclusively observed in the liquid crystal phases. No photoreactions occur in the crystalline state. The mobility of the dendrimers was studied by means of H-2 solid-state NMR spectroscopy. The onset of the photochemistry for dendrimer 1 [all-(E)-1,3,5-tris[2-(3,4,5-tridodecyloxyphenyl)ethenyl]benzene] corresponds to the increasing mobility at the Cr/LC transition. The first generation dendrimers still show large angle motion, whereas dendrimers of the second generation 2 [all-(E)-1, 3,5-tris(2-{3,5-bis[2-(3,4,5-tridodecyloxyphenyl) ethenyl] phenyl}ethenyl) benzene] are restricted to librational motions. Photochemical conversion and fluorescence quenching for first and second generation dendrimers 1 and 2 increase with increasing molecular motion and reach a maximum in the isotropic phase.

  DOI：

  10.1021/ja0366179
• 作为产物：
  描述：

  3,4,5-三(十二烷氧基)苯甲醛 在 盐酸 、 甲醇 、 正丁基锂 、 四甲基乙二胺 、 Dowex 50W-X₈ 作用下， 以 乙醚 、 正己烷 、 氯仿 为溶剂， 反应 14.5h， 生成 2,6-dideuterio-3,4,5-tridodecyloxybenzaldehyde
  参考文献：
  名称：

  Photochemistry and Mobility of Stilbenoid Dendrimers in Their Neat Phases

  摘要：

  Selectively deuterated, dodecyloxy substituted stilbenoid dendrimers of the first and second generation were synthesized by a convergent synthesis, using the Wittig-Horner reaction. The photochemistry and the fluorescence in the different crystalline and liquid crystalline phases were investigated. Molecules deuterated at the alpha-position of the alkoxy chains were used to study the photoreactions in the neat phases by H-1 NMR. Reactions of the double bonds are exclusively observed in the liquid crystal phases. No photoreactions occur in the crystalline state. The mobility of the dendrimers was studied by means of H-2 solid-state NMR spectroscopy. The onset of the photochemistry for dendrimer 1 [all-(E)-1,3,5-tris[2-(3,4,5-tridodecyloxyphenyl)ethenyl]benzene] corresponds to the increasing mobility at the Cr/LC transition. The first generation dendrimers still show large angle motion, whereas dendrimers of the second generation 2 [all-(E)-1, 3,5-tris(2-{3,5-bis[2-(3,4,5-tridodecyloxyphenyl) ethenyl] phenyl}ethenyl) benzene] are restricted to librational motions. Photochemical conversion and fluorescence quenching for first and second generation dendrimers 1 and 2 increase with increasing molecular motion and reach a maximum in the isotropic phase.

  DOI：

  10.1021/ja0366179