1,3,5-tris(2-(3-aminophenyl)ethyl)benzene | 1095314-61-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 1,3,5-tris(2-(3-aminophenyl)ethyl)benzene
• 英文别名: 3-[2-[3,5-Bis[2-(3-aminophenyl)ethyl]phenyl]ethyl]aniline；3-[2-[3,5-bis[2-(3-aminophenyl)ethyl]phenyl]ethyl]aniline
• CAS: 1095314-61-6
• 化学式: C₃₀H₃₃N₃
• 分子量: 435.612
• InChiKey: YQZMJLINLSJLAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  78.1
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3,5-tris(2-(3-aminophenyl)ethyl)benzene 、 异氰酸苯酯 以 1,2-二氯乙烷 为溶剂， 以76%的产率得到1,3,5-tris[2-(3-(3-phenylureido)phenyl)ethyl]benzene
  参考文献：
  名称：

  Synthesis and estimation of gelation ability of C3-symmetry tris-urea compounds

  摘要：

  C-3-Symmetry tris-urea low molecular weight gelator (LMWG) (1), which shows chemical stimuli responsible for a sol-gel phase transition, was divided into five regions. Based on the division, 22 derivatives were synthesized. The gelation ability of these derivatives was tested in nine organic solvents with a wide range of values for relative static permittivity (epsilon(r)-47.2-1.89). Some derivatives showed a better performance as LMWGs than the original tris-urea LMWG (1). For example, the critical gelation concentration (CGC) in acetone was improved from 1.5 wt % to 0.5 wt % by changing the core substituent (18). Highly versatile LMWG for a variety of solvents was obtained by changing the linker moiety (23). Structural information to design tris-urea LMWGs is important to create rationally a functional supramolecular gel. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.10.036
• 作为产物：
  描述：

  3,3',3''-(benzene-1,3,5-triyl)tris(ethyne-1,2-diyl)trianiline 在 10% Pd/C 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 反应 20.0h， 以96%的产率得到1,3,5-tris(2-(3-aminophenyl)ethyl)benzene
  参考文献：
  名称：

  Synthesis and estimation of gelation ability of C3-symmetry tris-urea compounds

  摘要：

  C-3-Symmetry tris-urea low molecular weight gelator (LMWG) (1), which shows chemical stimuli responsible for a sol-gel phase transition, was divided into five regions. Based on the division, 22 derivatives were synthesized. The gelation ability of these derivatives was tested in nine organic solvents with a wide range of values for relative static permittivity (epsilon(r)-47.2-1.89). Some derivatives showed a better performance as LMWGs than the original tris-urea LMWG (1). For example, the critical gelation concentration (CGC) in acetone was improved from 1.5 wt % to 0.5 wt % by changing the core substituent (18). Highly versatile LMWG for a variety of solvents was obtained by changing the linker moiety (23). Structural information to design tris-urea LMWGs is important to create rationally a functional supramolecular gel. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.10.036

文献信息

• Synthesis and estimation of gelation ability of C3-symmetry tris-urea compounds
  作者：Masamichi Yamanaka、Tomoe Nakagawa、Ryohei Aoyama、Tomohiko Nakamura

  DOI：10.1016/j.tet.2008.10.036

  日期：2008.12

  C-3-Symmetry tris-urea low molecular weight gelator (LMWG) (1), which shows chemical stimuli responsible for a sol-gel phase transition, was divided into five regions. Based on the division, 22 derivatives were synthesized. The gelation ability of these derivatives was tested in nine organic solvents with a wide range of values for relative static permittivity (epsilon(r)-47.2-1.89). Some derivatives showed a better performance as LMWGs than the original tris-urea LMWG (1). For example, the critical gelation concentration (CGC) in acetone was improved from 1.5 wt % to 0.5 wt % by changing the core substituent (18). Highly versatile LMWG for a variety of solvents was obtained by changing the linker moiety (23). Structural information to design tris-urea LMWGs is important to create rationally a functional supramolecular gel. (C) 2008 Elsevier Ltd. All rights reserved.