| 906357-01-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• CAS: 906357-01-5
• 化学式: C₂₉H₃₇NO₂
• 分子量: 431.618
• InChiKey: NXZCAFMXCAHLFW-UTLPMFLDSA-N

物化性质

• 沸点：
  624.5±45.0 °C(predicted)
• 密度：
  1.05±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.56
• 重原子数：
  32.0
• 可旋转键数：
  16.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  53.25
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  、 胆固醇甲酰氯 在 吡啶 作用下， 以 苯 为溶剂， 反应 24.0h， 以50%的产率得到12-[4-[(1E,3E)-4-(4-cyanophenyl)buta-1,3-dienyl]phenoxy]dodecyl [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonate
  参考文献：
  名称：

  Reversible Thermal and Photochemical Switching of Liquid Crystalline Phases and Luminescence in Diphenylbutadiene-Based Mesogenic Dimers

  摘要：

  The synthesis and study of the photo- and thermoresponsive behavior of a series of novel asymmetric mesogenic dimers, consisting of a cholesterol moiety linked to a diphenylbutadiene chromophore via flexible alkyl chains are reported. These mesogenic dimers possess the combined glass forming properties of the cholesterol moiety and the photochromic and luminescent properties of the butadiene moiety. Photoinduced cis/trans isomerization of the butadiene chromophore in these materials could be utilized to bring about an isothermal phase transition from the smectic to the cholesteric state. By photochemically controlling the cis/trans isomer ratio, the pitch of the cholesteric could be continuously varied making it possible to tune the color of the film over the entire visible region, and the color images thus generated could be stabilized by converting them to N* glasses. These materials were also polymorphic, exhibiting two crystalline forms possessing distinctly different fluorescence properties. The ability to thermally switch these materials from one crystalline form to the other in a reversible manner also makes them useful for recording fluorescent images.

  DOI：

  10.1021/ja061575k
• 作为产物：
  描述：

  1-(para-cyanophenyl)-4-(para-methoxyphenyl)-buta-1E,3E-diene 在 三溴化硼 、 potassium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 生成
  参考文献：
  名称：

  Reversible Thermal and Photochemical Switching of Liquid Crystalline Phases and Luminescence in Diphenylbutadiene-Based Mesogenic Dimers

  摘要：

  The synthesis and study of the photo- and thermoresponsive behavior of a series of novel asymmetric mesogenic dimers, consisting of a cholesterol moiety linked to a diphenylbutadiene chromophore via flexible alkyl chains are reported. These mesogenic dimers possess the combined glass forming properties of the cholesterol moiety and the photochromic and luminescent properties of the butadiene moiety. Photoinduced cis/trans isomerization of the butadiene chromophore in these materials could be utilized to bring about an isothermal phase transition from the smectic to the cholesteric state. By photochemically controlling the cis/trans isomer ratio, the pitch of the cholesteric could be continuously varied making it possible to tune the color of the film over the entire visible region, and the color images thus generated could be stabilized by converting them to N* glasses. These materials were also polymorphic, exhibiting two crystalline forms possessing distinctly different fluorescence properties. The ability to thermally switch these materials from one crystalline form to the other in a reversible manner also makes them useful for recording fluorescent images.

  DOI：

  10.1021/ja061575k