1,3,5-tri(4-dodecylcarbamoylphenyl)benzene | 1229031-20-2

• 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: 1,3,5-tri(4-dodecylcarbamoylphenyl)benzene
• 英文别名: 4-[3,5-bis[4-(dodecylcarbamoyl)phenyl]phenyl]-N-dodecylbenzamide
• CAS: 1229031-20-2
• 化学式: C₆₃H₉₃N₃O₃
• 分子量: 940.45
• InChiKey: VQVLUTLMWPIRKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.4
• 重原子数：
  69
• 可旋转键数：
  39
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  87.3
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  十二烷基伯胺 、 1,3,5-tris(4-carboxyphenyl)benzene trichloride 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以0.86 g的产率得到1,3,5-tri(4-dodecylcarbamoylphenyl)benzene
  参考文献：
  名称：

  Novel C3-symmetrical triphenylbenzene-based organogelators with different linkers between phenyl ring and alkyl chain

  摘要：

  A new family of 1,3,5-triphenylbenzene-based organogelators with approximately identical side chain length have been synthesized and fully characterized. The molecular aggregation can be promoted by hydrogen-bonding and van der Was interaction. The magnitudes of hydrogen bonding interactions between the linkers on the triphenylbenzene cores are qualitatively in the order of -CONHNHCO-, -NHCONH->-NHCO->-CONH->-NHCSNH-, consequently resulting in different gelation behaviors. The sol-gel transitions of gels 3 and 4 in toluene are thermodynamically reversible, while the formations of gels 2 and 5 in dioxane are kinetically controlled. The urea-based gel 2 can selectively recognize F ion. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.02.094

文献信息

• Novel C3-symmetrical triphenylbenzene-based organogelators with different linkers between phenyl ring and alkyl chain
  作者：Yabing He、Zheng Bian、Chuanqing Kang、Yanqin Cheng、Lianxun Gao

  DOI：10.1016/j.tet.2010.02.094

  日期：2010.5

  A new family of 1,3,5-triphenylbenzene-based organogelators with approximately identical side chain length have been synthesized and fully characterized. The molecular aggregation can be promoted by hydrogen-bonding and van der Was interaction. The magnitudes of hydrogen bonding interactions between the linkers on the triphenylbenzene cores are qualitatively in the order of -CONHNHCO-, -NHCONH->-NHCO->-CONH->-NHCSNH-, consequently resulting in different gelation behaviors. The sol-gel transitions of gels 3 and 4 in toluene are thermodynamically reversible, while the formations of gels 2 and 5 in dioxane are kinetically controlled. The urea-based gel 2 can selectively recognize F ion. (C) 2010 Elsevier Ltd. All rights reserved.