4,4'-didodecyloxy-2,2'-dihydroxy-α,α'dimethylbenzalazine | 86104-43-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4,4'-didodecyloxy-2,2'-dihydroxy-α,α'dimethylbenzalazine
• CAS: 86104-43-0
• 化学式: C₄₀H₆₄N₂O₄
• 分子量: 636.959
• InChiKey: XLDOYCJXRWWJFE-CACZWXESSA-N

物化性质

• 沸点：
  709.2±60.0 °C(Predicted)
• 密度：
  1.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.93
• 重原子数：
  46.0
• 可旋转键数：
  27.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  83.64
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  1-(4-(dodecyloxy)-2-hydroxyphenyl)ethanone 在 盐酸肼 、 碘 作用下， 以 二甲基亚砜 为溶剂， 反应 0.5h， 以63%的产率得到4,4'-didodecyloxy-2,2'-dihydroxy-α,α'dimethylbenzalazine
  参考文献：
  名称：

  The π–π interactions enhanced in salicylaldimines and salicylaldazines

  摘要：

  Four new series of salicylaldazines 1 and salicylaldimines 2-4 were prepared, characterized and their mesomorphic properties were studied. The structures of all compounds were identified and confirmed by spectroscopic techniques such as H-1, C-13 NMR, MS and elemental analysis. Three single crystallographic structures of compounds la (n=3, 6) and 2 (n=3) were determined by X-ray analysis in order to correlate the molecular structures with the formation of mesophases. Crystallographic data indicated that the better mesomorphic properties might be controlled by CH-pi, pi-pi or/and H-bonds in such system. Except for crystalline compounds 4, all other compounds 1-3 showed mesomorphic behavior of nematic, smectic A or/and smectic C phases, which were characterized by differential scanning calorimetry, optical polarizing microscope and X-ray diffraction experiments. All compounds 1-4 showed yellow green photoluminescence in THF occurred at 519-521 nm. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2015.07.049

文献信息

• Synthesis and Mesomorphic Properties of Three Homologous Series of 4,4′-Dialkoxy-α,α′-Dimethylbenzalazines A Comparative Study (I
  作者：M. Marcos、E. Melendez、J. L. Serrano

  DOI：10.1080/00268948308083083

  日期：1983.1

  Abstract Three homologous series of α,α′-Dimethylbenzalazines, have been synthesized: 4,4′-Dialkoxy-α,α′-Dimethylbenzalazines, 4,4′-dialkoxy-2,2′-dihydroxy-α,α′-Dimethylbenzalazines, and 4,4′-dialkoxy-2-hydroxy-α,α′-Dimethylbenzalazines. The influence of molecular structure on the mesomorphic properties was studied. Mesomorphic properties and phase transitions were determined using a polarizing hotstage

  摘要 合成了三个同源系列的 α,α'-二甲基苯并嗪：4,4'-二烷氧基-α,α'-二甲基苯并嗪、4,4'-二烷氧基-2,2'-二羟基-α,α'-二甲基苯并嗪, 和 4,4'-二烷氧基-2-羟基-α,α'-二甲基苯扎嗪。研究了分子结构对介晶性质的影响。使用偏光热台显微镜和差示扫描量热计测定介晶性质和相变。在芳环（4,4'-二烷氧基-2-羟基-α,α'-二甲基苯并嗪和4,4'-二烷氧基-2）的2-或2-和2'-位置引入一个或两个羟基,2'-二羟基-α,α'-Dimethylbenzalazines) 使分子具有优良的介晶质量，并且这些系列的所有制备的化合物都表现出介晶现象。具有两个羟基的系列化合物表现出近晶多晶型现象，而其他系列的化合物则不然。4,4'-二烷氧基-2-...