{3,4-bis-[2-(3,4-didodecyloxyphenyl)ethoxy]phenyl}acetic acid ethyl ester | 1352994-11-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: {3,4-bis-[2-(3,4-didodecyloxyphenyl)ethoxy]phenyl}acetic acid ethyl ester
• CAS: 1352994-11-6
• 化学式: C₇₄H₁₂₄O₈
• 分子量: 1141.79
• InChiKey: ZPJDWSNYDVVKGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.23
• 重原子数：
  82.0
• 可旋转键数：
  59.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  81.68
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  {3,4-bis-[2-(3,4-didodecyloxyphenyl)ethoxy]phenyl}acetic acid ethyl ester 在 吡啶 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 2.25h， 生成 methanesulfonic acid 2-{3,4-bis-[2-(3,4-didodecyloxyphenyl)ethoxy]phenyl}ethyl ester
  参考文献：
  名称：

  Simple Cubic Packing of Gold Nanoparticles through Rational Design of Their Dendrimeric Corona

  摘要：

  The first simple-cubic liquid crystal was obtained by coating monodisperse Au nanoparticles (NPs) with a thick corona of amino-substituted organic dendrons. This unusual structure was determined by grazing-incidence diffraction and electron density reconstruction and explained by analyzing the radial density profile of the corona. Another novel structure is proposed for the phase preceding the cubic one: a hexagonal superlattice composed of alternating dense and sparse strings of Au NPs.

  DOI：

  10.1021/ja2095816
• 作为产物：
  描述：

  3,4-二羟基苯乙酸 在 吡啶 、 lithium aluminium tetrahydride 、 硫酸 、 potassium carbonate 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 54.25h， 生成 {3,4-bis-[2-(3,4-didodecyloxyphenyl)ethoxy]phenyl}acetic acid ethyl ester
  参考文献：
  名称：

  Simple Cubic Packing of Gold Nanoparticles through Rational Design of Their Dendrimeric Corona

  摘要：

  The first simple-cubic liquid crystal was obtained by coating monodisperse Au nanoparticles (NPs) with a thick corona of amino-substituted organic dendrons. This unusual structure was determined by grazing-incidence diffraction and electron density reconstruction and explained by analyzing the radial density profile of the corona. Another novel structure is proposed for the phase preceding the cubic one: a hexagonal superlattice composed of alternating dense and sparse strings of Au NPs.

  DOI：

  10.1021/ja2095816