2,4,6-tris[3,4,5-tridecyloxyphenyl-1-amino]-1,3,5-triazine | 757998-37-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,4,6-tris[3,4,5-tridecyloxyphenyl-1-amino]-1,3,5-triazine
• 英文别名: N~2~,N~4~,N~6~-Tris[3,4,5-tris(decyloxy)phenyl]-1,3,5-triazine-2,4,6-triamine；2-N,4-N,6-N-tris(3,4,5-tris-decoxyphenyl)-1,3,5-triazine-2,4,6-triamine
• CAS: 757998-37-1
• 化学式: C₁₁₁H₁₉₈N₆O₉
• 分子量: 1760.83
• InChiKey: OEOSXWKCKZNBRJ-UHFFFAOYSA-N

物化性质

• 沸点：
  1292.0±75.0 °C(Predicted)
• 密度：
  0.967±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  45.8
• 重原子数：
  126
• 可旋转键数：
  96
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  158
• 氢给体数：
  3
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  2-carboxybenzenethiolate;gold(1+);triphenylphosphane 、 2,4,6-tris[3,4,5-tridecyloxyphenyl-1-amino]-1,3,5-triazine 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  三嗪-硫氰酸金-金属超分子聚集体的室温柱状中间相

  摘要：

  超分子单核和双核液晶金（I）聚集体是通过2,4,6-三芳基氨基-1,3,5-三嗪与金金属酸的硫醇盐部分[Au（PR 3）]的氢键相互作用合成的。（SC 6 H 4 COOH）]或[μ-（binap）{Au（SC 6 H 4 COOH）} 2 ]，摩尔比分别为1：1和2：1。所有的超分子聚集体均显示出稳定的柱状六方中间相（Col h） 在室温下。柱内的超分子排列由一维堆积的三嗪单元组成，连接的金属硫代酸片段的核心充当第四分支。金属硫代酸的含膦部分在脂族连续体中突出。这些复合物没有显示亲金属相互作用，但是这种策略对于未来设计包含相互作用金属片段的室温液相色谱中间相似乎很有希望。

  DOI：

  10.1002/chem.201204256
• 作为产物：
  描述：

  三聚氯氰 、 3,4,5-tridecyloxyaniline 在 potassium carbonate 作用下， 以 丁酮 为溶剂， 生成 2,4,6-tris[3,4,5-tridecyloxyphenyl-1-amino]-1,3,5-triazine
  参考文献：
  名称：

  Supramolecular Helical Mesomorphic Polymers. Chiral Induction through H-Bonding

  摘要：

  The work described here concerns a challenge of general interest in supramolecular chemistry: the achievement of chiral helical organizations with controlled structures. This work provides a strategy to obtain supramolecular polymers in which a chiral helical conformation has been induced by a noncovalent association, that is, through hydrogen bonding. Polycatenar 2,4,6-triarylamino-1,3,5-triazines, which organize into columnar mesophases and are susceptible to H-bonding interactions, were chosen as a starting point to build up the chiral supramolecular structure. The stacking of these mesogens has been forced to wind in a helical way by means of H-bond association with (R)-3-methyladipic acid, within the mesophase. The optically active columnar organization has been studied in depth by optical microscopy, differential scanning calorimetry (DSC), X-ray diffraction, and circular dichroism. Formation of stable complexes between the triazine units and (R)-3-methyladipic acid has also been investigated by means of NMR diffusion-ordered spectroscopy (DOSY) experiments in chloroform.

  DOI：

  10.1021/ja046644e