4-((2-methoxyethoxy)methyl)-N-(4-((2-methoxyethoxy)methyl)phenyl)-N-(4-(5-(5-(5,5-dimethyl-1,3-dioxan-2-yl)thiophen-2-yl)thiophen-2-yl)phenyl)benzenamine | 1206833-02-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-((2-methoxyethoxy)methyl)-N-(4-((2-methoxyethoxy)methyl)phenyl)-N-(4-(5-(5-(5,5-dimethyl-1,3-dioxan-2-yl)thiophen-2-yl)thiophen-2-yl)phenyl)benzenamine
• CAS: 1206833-02-4
• 化学式: C₄₀H₄₅NO₆S₂
• 分子量: 699.932
• InChiKey: JHLYSUHWAGRCKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.01
• 重原子数：
  49.0
• 可旋转键数：
  16.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  58.62
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  4-((2-methoxyethoxy)methyl)-N-(4-((2-methoxyethoxy)methyl)phenyl)-N-(4-(5-(5-(5,5-dimethyl-1,3-dioxan-2-yl)thiophen-2-yl)thiophen-2-yl)phenyl)benzenamine 在 三氟乙酸 、 碳酸氢钠 作用下， 以 四氢呋喃 、 水 为溶剂， 以71%的产率得到5'-{4-[bis-(4-((2-methoxyethoxy)methyl)-phenyl)-amino]-phenyl}-[2,2']bithiophene-5-carboxaldehyde
  参考文献：
  名称：

  Significance of Hydrophilic Characters of Organic Dyes in Visible-Light Hydrogen Generation Based on TiO₂

  摘要：

  A series of dyes were synthesized to examine the roles of the hydrophilic characteristics of R in sensitized hydrogen generation by dyegrafted Pt/TiO2 under visible light irradiation. The hydrogen-generation efficiencies and optimum amounts of the dyes grafted to Pt/TiO2 were affected substantially by the hydrophilic and steric effects of R; moderately hydrophilic DEO1 and DEO2 showed higher sensitization activity at a lower loading than hydrophobic D-H.

  DOI：

  10.1021/ol9026182
• 作为产物：
  描述：

  4-[5'-(5,5-dimethyl-1,3-dioxan-2-yl)[2,2'-bithiophen]-5-yl]benzenamine 、 1-溴-4-((2-甲氧基乙氧基)甲基)苯 在 tris-(dibenzylideneacetone)dipalladium(0) 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 以71%的产率得到4-((2-methoxyethoxy)methyl)-N-(4-((2-methoxyethoxy)methyl)phenyl)-N-(4-(5-(5-(5,5-dimethyl-1,3-dioxan-2-yl)thiophen-2-yl)thiophen-2-yl)phenyl)benzenamine
  参考文献：
  名称：

  Significance of Hydrophilic Characters of Organic Dyes in Visible-Light Hydrogen Generation Based on TiO₂

  摘要：

  A series of dyes were synthesized to examine the roles of the hydrophilic characteristics of R in sensitized hydrogen generation by dyegrafted Pt/TiO2 under visible light irradiation. The hydrogen-generation efficiencies and optimum amounts of the dyes grafted to Pt/TiO2 were affected substantially by the hydrophilic and steric effects of R; moderately hydrophilic DEO1 and DEO2 showed higher sensitization activity at a lower loading than hydrophobic D-H.

  DOI：

  10.1021/ol9026182