N,N'-bis(4-ethynylphenyl)-N,N'-dimethylbutane-1,4-diamine | 1422043-06-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N'-bis(4-ethynylphenyl)-N,N'-dimethylbutane-1,4-diamine
• CAS: 1422043-06-8
• 化学式: C₂₂H₂₄N₂
• 分子量: 316.446
• InChiKey: UOHTXVNPRHPSOH-UHFFFAOYSA-N

物化性质

• 沸点：
  478.7±40.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  三乙基硅烷 、 N,N'-bis(4-ethynylphenyl)-N,N'-dimethylbutane-1,4-diamine 在 tris(triphenylphosphine)rhodium(l) chloride 、 sodium iodide 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以56%的产率得到N,N'-bis(4-[2-trimethylsilyl]vinylphenyl)-N,N'-dimethylbutane-1,4-diamine
  参考文献：
  名称：

  控制烷基桥联双氨基苯乙烯的分子构象：研究发色团间相互作用

  摘要：

  摘要 设计并合成了一系列由不同脂肪族接头桥接的双氨基苯乙烯。由于可调的分子构象，两个氨基苯乙烯部分之间的相互作用被控制以产生各种光物理和电化学性质。当接头为乙基和丁基时，双氨基苯乙烯的行为与单体氨基苯乙烯相似。将连接基团替换为丙基后，吸收带变得更宽，发射曲线显示出显着的红移。乙基和丁基接头可能会在两个氨基苯乙烯之间提供反构象，而丙基可能倾向于将两个氨基苯乙烯设置为顺式构象。因此，两个侧基之间的相对距离可能更短，以丙基为连接基，因此，发生发色团间相互作用，例如激子耦合。这些结果可以通过温度相关发射光谱进一步证实。当温度逐渐降低时，由乙基和丁基桥接的双氨基苯乙烯的发射光谱显示红移，而丙基取代的则显示出轻微的红移。有趣的是，丙基取代的双氨基苯乙烯在 150 K 时的发射光谱与单体氨基苯乙烯的发射光谱相同，可以得出结论，由于分子运动冻结，发色团间相互作用被破坏。另一方面，选择环状取代基哌嗪来桥接两

  DOI：

  10.1016/j.molstruc.2018.05.045
• 作为产物：
  描述：

  N,N'-dimethyl-N,N'-diphenyl-1,4-butanediamine 在 bis-triphenylphosphine-palladium(II) chloride 、 N-溴代丁二酰亚胺(NBS) 、 copper(l) iodide 、 potassium carbonate 作用下， 以 氯仿 为溶剂， 生成 N,N'-bis(4-ethynylphenyl)-N,N'-dimethylbutane-1,4-diamine
  参考文献：
  名称：

  Photoinduced Electron Transfer as a Probe for the Folding Behavior of Dimethylsilylene-Spaced Alternating Donor–Acceptor Oligomers and Polymers

  摘要：

  A series of oligomers and polymers having dimethylsilylene-spaced alternating 4-aminostyrene donor and stilbene acceptor chromophores (two to one) are regioselectively synthesized, and the two donor chromophores are separated by different bridges between two donors. Photophysical tools have been used to examine the folding behavior of these copolymers. Both steady-state and time-resolved fluorescence spectroscopic measurements were examined. The relative intensities (I-CT/I-LE) between emission from charge-separated state (CT emission) and local excited emission of acceptor chromophore (LE emission) increase with increasing number of repeating units, and reach a plateau, when the linkers between the two aminostyrene chromophores are trimethylene bridges. Replacements of these by dimethylene or tetramethylene linker reduce the relative intensities of CT emission of the polymers, owing to the different folding behavior of these polymers. The CT emission intensity of the polymer with rigid piperazine linkers is much lower than that with trimethylene-bridged copolymer of the same degree of polymerization. Slight conformational change of these polymers would lead to slight variation of the distance between donor and acceptor chromophores so that the nonadiabatic interactions in the excited state between donor-acceptor pairs in these oligomers and polymers would be perturbed by such change of conformations.

  DOI：

  10.1021/ma302381y