(1,4,7-Triazonane-1,4,7-triyl)tris{[3,4-bis(decyloxy)phenyl]methanone} | 129820-27-5

• 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: (1,4,7-Triazonane-1,4,7-triyl)tris{[3,4-bis(decyloxy)phenyl]methanone}
• 英文别名: [4,7-bis(3,4-didecoxybenzoyl)-1,4,7-triazonan-1-yl]-(3,4-didecoxyphenyl)methanone
• CAS: 129820-27-5
• 化学式: C₈₇H₁₄₇N₃O₉
• 分子量: 1379.14
• InChiKey: IXMCXPAXTIGDLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  30.3
• 重原子数：
  99
• 可旋转键数：
  63
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (1,4,7-Triazonane-1,4,7-triyl)tris{[3,4-bis(decyloxy)phenyl]methanone} 生成 1,4,7-Tris-(3,4-bis-decyloxy-benzyl)-[1,4,7]triazonane
  参考文献：
  名称：

  Liquid crystalline piperazine and triazacyclononane derivatives

  摘要：

  描述了哌嗪和三环壬烷的介生酰胺和铵衍生物。

  DOI：

  10.1039/c39920001091
• 作为产物：
  描述：

  1,4,7-三氮杂环壬烷 、 alkaline earth salt of/the/ methylsulfuric acid 以53%的产率得到(1,4,7-Triazonane-1,4,7-triyl)tris{[3,4-bis(decyloxy)phenyl]methanone}
  参考文献：
  名称：

  Lattermann, G., Molecular Crystals and Liquid Crystals (1969-1991), 1990, vol. 182, p. 299 - 311

  摘要：

  DOI：

文献信息

• Liquid Crystalline Octahedral Iron(III) Complexes with 1,4,7-Tris[3,4-bis(decyloxy)benzyl]-1,4,7-triazacyclononane: Thermal Characterization and Mössbauer Investigations of Bridging and Redox Behavior
  作者：G. Henning Walf、Rüdiger Benda、F. Jochen Litterst、Uwe Stebani、Steven Schmidt、Günter Lattermann

  DOI：10.1002/(sici)1521-3765(199801)4:1<93::aid-chem93>3.0.co;2-x

  日期：1998.1

  The complexation of iron(III) chloride with 1,4,7-tris[3,4-bis(decyloxy)benzyl]-1,3,7-triazacyclononane leads to a liquid crystalline product, which forms a second mesophase after thermal treatment at around 70 degrees C above the first clearing temperature. Polarizing microscopy, DSC, and UV observations reveal a transformation, which was further investigated by Mossbauer spectroscopy. In different temperature ranges, various octahedral, binuclear iron(III) complexes are present along with a monomeric species. In the presence of water and oxygen, the iron(III) center participates in a redox equilibrium.