2-butoxy-1-N,3-N-bis[5-[2-butoxy-5-tert-butyl-3-(5-fluoro-2,4-dinitroanilino)anilino]-2,4-dinitrophenyl]-5-tert-butylbenzene-1,3-diamine | 1411773-99-3

• 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: 2-butoxy-1-N,3-N-bis[5-[2-butoxy-5-tert-butyl-3-(5-fluoro-2,4-dinitroanilino)anilino]-2,4-dinitrophenyl]-5-tert-butylbenzene-1,3-diamine
• CAS: 1411773-99-3
• 化学式: C₆₆H₇₄F₂N₁₄O₁₉
• 分子量: 1405.39
• InChiKey: HLDDISNDGQYLEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22
• 重原子数：
  101
• 可旋转键数：
  27
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  466
• 氢给体数：
  6
• 氢受体数：
  27

反应信息

• 作为产物：
  描述：

  1,5-二氟-2,4-二硝基苯 、 3-N-[5-(3-amino-2-butoxy-5-tert-butylanilino)-2,4-dinitrophenyl]-2-butoxy-5-tert-butylbenzene-1,3-diamine 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 14.0h， 以69%的产率得到2-butoxy-1-N-[5-[2-butoxy-5-tert-butyl-3-(5-fluoro-2,4-dinitroanilino)anilino]-2,4-dinitrophenyl]-5-tert-butyl-3-N-(5-fluoro-2,4-dinitrophenyl)benzene-1,3-diamine
  参考文献：
  名称：

  Oligo-m-aniline Foldamers

  摘要：

  Nitrogen atoms showed intriguing properties such as, they can adopt sp(2) or sp(3) electronic configurations and form various degrees of conjugations with the adjacent aromatic rings depending on the electric nature of aromatic rings. Through deliberate combination of nitrogen atoms with aromatics of different electric nature, oligo-m-aniline foldamers were synthesized with a two-directional synthetic protocol. The synthesized hexamer and heptamer gave a snake-shape folding structure in the crystalline state. By means of 2D NOESY NMR experiments, both the hexamer and heptamer were found to adopt similar folding structures in solution as those in the solid state. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.050