(R)-1-(3-aminophenyl)-3-(3-(3-(3-aminophenyl)-1,3-dipropylureido)phenyl)-3-(2-(2-(2-methoxyethoxy)ethoxy)propyl)-1-propylurea | 1374648-07-3

• 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: (R)-1-(3-aminophenyl)-3-(3-(3-(3-aminophenyl)-1,3-dipropylureido)phenyl)-3-(2-(2-(2-methoxyethoxy)ethoxy)propyl)-1-propylurea
• CAS: 1374648-07-3
• 化学式: C₃₇H₅₄N₆O₅
• 分子量: 662.873
• InChiKey: DQSZRFFMFLNXSP-GDLZYMKVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.02
• 重原子数：
  48.0
• 可旋转键数：
  19.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  126.83
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  C₂₀H₂₃N₃O₂ 、 (R)-1-(3-aminophenyl)-3-(3-(3-(3-aminophenyl)-1,3-dipropylureido)phenyl)-3-(2-(2-(2-methoxyethoxy)ethoxy)propyl)-1-propylurea 以 四氢呋喃 为溶剂， 反应 2.5h， 以51%的产率得到(R)-1-(2-(2-(2-methoxyethoxy)ethoxy)propyl)-3-(3-(3-(3-(3-phenyl-1,3-dipropylureido)phenyl)ureido)phenyl)-1-(3-(3-(3-(3-(3-(3-phenyl-1,3-dipropylureido)phenyl)ureido)phenyl)-1,3-dipropylureido)phenyl)-3-propylurea
  参考文献：
  名称：

  Synthesis and helical properties of aromatic multilayered oligoureas

  摘要：

  Several aromatic multilayered oligoureas with different chain lengths and different numbers of chiral N-substituents were synthesized, and their helical conformation and induced handedness were examined by means of CD spectroscopy. Introduction of one chiral N-substituent is enough to induce handedness, and all the oligoureas examined exist predominantly as helical structures with all-S axial chirality. The hexaureas 6 and 7 had similar CD intensity to the tetraureas 4 and 5, and had larger CD intensity than diurea 8. The results indicate that the effect of a chiral N-substituent at the central benzene ring in inducing well-ordered handedness at the terminal positions of hexaureas 6 and 7 is relatively weak, even though these compounds mainly take the form of aromatic multilayered foldamers. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.12.038
• 作为产物：
  描述：

  3-硝基苯异氢酸酯 在 palladium 10% on activated carbon 、 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 46.5h， 生成 (R)-1-(3-aminophenyl)-3-(3-(3-(3-aminophenyl)-1,3-dipropylureido)phenyl)-3-(2-(2-(2-methoxyethoxy)ethoxy)propyl)-1-propylurea
  参考文献：
  名称：

  Synthesis and helical properties of aromatic multilayered oligoureas

  摘要：

  Several aromatic multilayered oligoureas with different chain lengths and different numbers of chiral N-substituents were synthesized, and their helical conformation and induced handedness were examined by means of CD spectroscopy. Introduction of one chiral N-substituent is enough to induce handedness, and all the oligoureas examined exist predominantly as helical structures with all-S axial chirality. The hexaureas 6 and 7 had similar CD intensity to the tetraureas 4 and 5, and had larger CD intensity than diurea 8. The results indicate that the effect of a chiral N-substituent at the central benzene ring in inducing well-ordered handedness at the terminal positions of hexaureas 6 and 7 is relatively weak, even though these compounds mainly take the form of aromatic multilayered foldamers. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.12.038