tris[2-(4 benzyloxybenzoyloxy)ethyl]amine | 1440507-37-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tris[2-(4 benzyloxybenzoyloxy)ethyl]amine
• CAS: 1440507-37-8
• 化学式: C₄₈H₄₅NO₉
• 分子量: 779.887
• InChiKey: QRXYRDXOEBCTDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  58.0
• 可旋转键数：
  21.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  109.83
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  三乙醇胺 、 4-苯甲氧基苯甲酸 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 氯仿 为溶剂， 反应 12.17h， 以77%的产率得到tris[2-(4 benzyloxybenzoyloxy)ethyl]amine
  参考文献：
  名称：

  Synthesis and study of vitrescent materials based on the alkoxybenzoic acids derivatives and triethanolamine

  摘要：

  Fifteen new branched triethanolamine esters of the benzoic acid derivatives were designed and the mesomorphism typical of discotic mesogens was forecast for them. In eight of the obtained compounds a manifestation of liquid crystal properties was predicted, for four derivatives equiprobable prognosis was given, and only three compounds were predicted not to form a mesophase. The obtained esters were characterized by elemental analysis, NMR and IR spectroscopy, gas chromatography-mass spectrometry. The main thermal characteristics that allow accounting for their phase behavior were determined.

  DOI：

  10.1134/s1070363213040075