N,N'-diethyl-1-[5-[2-[4-[N-ethyl-N-(2-hydroxyethyl)amino]phenyl]ethenyl]-2-thienylmethylidene]-2,4,6-(1H,3H,5H)pyrimidinetrione | 633278-36-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N,N'-diethyl-1-[5-[2-[4-[N-ethyl-N-(2-hydroxyethyl)amino]phenyl]ethenyl]-2-thienylmethylidene]-2,4,6-(1H,3H,5H)pyrimidinetrione
• 英文别名: 1,3-diethyl-5-[[5-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethenyl]thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
• CAS: 633278-36-1
• 化学式: C₂₅H₂₉N₃O₄S
• 分子量: 467.589
• InChiKey: RTTGLUCKAMTOBN-FMIVXFBMSA-N

物化性质

• 沸点：
  652.4±65.0 °C(Predicted)
• 密度：
  1.290±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N,N'-diethyl-1-[5-[2-[4-[N-ethyl-N-(2-hydroxyethyl)amino]phenyl]ethenyl]-2-thienylmethylidene]-2,4,6-(1H,3H,5H)pyrimidinetrione 在 新戊醇 、 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 24.0h， 生成 5-[[5-[(E)-2-[4-[6-[6-bromo-1-[6-bromo-2-[6-[4-[(E)-2-[5-[(1,3-diethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]thiophen-2-yl]ethenyl]-N-ethylanilino]hexoxy]naphthalen-1-yl]naphthalen-2-yl]oxyhexyl-ethylamino]phenyl]ethenyl]thiophen-2-yl]methylidene]-1,3-diethyl-1,3-diazinane-2,4,6-trione
  参考文献：
  名称：

  Synthesis and Properties of Chiral Chromophore-Functionalized Polybinaphthalenes for Nonlinear Optics:  Influence of Chromophore Concentration

  摘要：

  A series of chromophore-functionalized polybinaphthalenes have been prepared and characterized for their (nonlinear optical) properties. The polymers were prepared by direct polymerization using a Stille coupling between a bis(trimethyltin) compound and dibromo-substituted binaphthalene monomers. The chromophores were attached to the binaphthalene unit via an alkyl spacer. The influence of the chromophore concentration, spacer length, and number of chromophores per binaphthalene unit was studied. The typical treelike macromolecular architecture of these molecules gives rise to a unique behavior in the glass transition temperature, NMR, and nonlinear optical properties. The nonlinear optical response shows a continuous increase in function of the chromophore content. In this way, the nonlinear optical properties can be increased in a way that is not possible with other chromophore-functionalized polymer materials.

  DOI：

  10.1021/ma0351118
• 作为产物：
  描述：

  trans-2-[4-(N-ethyl-N-(2-hydroxyethyl)amino)styryl]thiophene-5-carboxaldehyde 、 1,3-二乙基嘧啶-2,4,6(1H,3H,5H)-三酮 以 乙醇 为溶剂， 以97%的产率得到N,N'-diethyl-1-[5-[2-[4-[N-ethyl-N-(2-hydroxyethyl)amino]phenyl]ethenyl]-2-thienylmethylidene]-2,4,6-(1H,3H,5H)pyrimidinetrione
  参考文献：
  名称：

  Synthesis and Properties of Chiral Chromophore-Functionalized Polybinaphthalenes for Nonlinear Optics:  Influence of Chromophore Concentration

  摘要：

  A series of chromophore-functionalized polybinaphthalenes have been prepared and characterized for their (nonlinear optical) properties. The polymers were prepared by direct polymerization using a Stille coupling between a bis(trimethyltin) compound and dibromo-substituted binaphthalene monomers. The chromophores were attached to the binaphthalene unit via an alkyl spacer. The influence of the chromophore concentration, spacer length, and number of chromophores per binaphthalene unit was studied. The typical treelike macromolecular architecture of these molecules gives rise to a unique behavior in the glass transition temperature, NMR, and nonlinear optical properties. The nonlinear optical response shows a continuous increase in function of the chromophore content. In this way, the nonlinear optical properties can be increased in a way that is not possible with other chromophore-functionalized polymer materials.

  DOI：

  10.1021/ma0351118