2-[3,4-bis-(2-{3,4-bis-[2-(3,4-didodecyloxyphenyl)ethoxy]phenyl}ethoxy)phenyl]ethanol | 1352994-16-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-[3,4-bis-(2-{3,4-bis-[2-(3,4-didodecyloxyphenyl)ethoxy]phenyl}ethoxy)phenyl]ethanol
• CAS: 1352994-16-1
• 化学式: C₁₅₂H₂₅₀O₁₅
• 分子量: 2317.65
• InChiKey: OUNCFCASPXMZDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  45.35
• 重原子数：
  167.0
• 可旋转键数：
  122.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  149.45
• 氢给体数：
  1.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  2-[3,4-bis-(2-{3,4-bis-[2-(3,4-didodecyloxyphenyl)ethoxy]phenyl}ethoxy)phenyl]ethanol 、 甲基磺酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 0.08h， 以96%的产率得到methanesulfonic acid 2-[3,4-bis-(2-{3,4-bis-[2-(3,4-didodecyloxy-phenyl)ethoxy]phenyl}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-bis-(2-{3,4-bis-[2-(3,4-didodecyloxy-phenyl)ethoxy]phenyl}ethoxy)phenyl]acetic acid ethyl ester 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 2.17h， 以93%的产率得到2-[3,4-bis-(2-{3,4-bis-[2-(3,4-didodecyloxyphenyl)ethoxy]phenyl}ethoxy)phenyl]ethanol
  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