N1-(3-amino-5-(dioctylcarbamoyl)-2-fluorophenyl)-N3-(5-(dioctylcarbamoyl)-2-fluoro-3-(2-fluorobenzamido)phenyl)-2-fluoroisophthalamide | 1204670-75-6

• 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: N1-(3-amino-5-(dioctylcarbamoyl)-2-fluorophenyl)-N3-(5-(dioctylcarbamoyl)-2-fluoro-3-(2-fluorobenzamido)phenyl)-2-fluoroisophthalamide
• CAS: 1204670-75-6
• 化学式: C₆₁H₈₄F₄N₆O₅
• 分子量: 1057.37
• InChiKey: NCWUZBKLJFYNTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.91
• 重原子数：
  76.0
• 可旋转键数：
  36.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  153.94
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N1-(3-amino-5-(dioctylcarbamoyl)-2-fluorophenyl)-N3-(5-(dioctylcarbamoyl)-2-fluoro-3-(2-fluorobenzamido)phenyl)-2-fluoroisophthalamide 、 甲氧基苯甲酰氯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以48 mg的产率得到N1-(5-(dioctylcarbamoyl)-2-fluoro-3-(2-fluorobenzamido)phenyl)-N3-(5-(dioctylcarbamoyl)-2-fluoro-3-(2-methoxybenzamido)phenyl)-2-fluoroisophthalamide
  参考文献：
  名称：

  Self-assembly of vesicles from the stacking of a dipodal F⋯H–N hydrogen bonded arylamide foldamer

  摘要：

  In this paper, we report the synthesis and self-assembling behavior of an F center dot center dot center dot H-N hydrogen bonding-induced arylamide-based dipodal foldamer. SEM, AFM. TEM, and XRD studies reveal that this preorganized oligomer stacks to form vesicles in methanol-chloroform (10-70%) binary solvents due to the strong stacking interaction of the folded segments and the supramolecular polymeric feature of the dipodal molecule in the stacked state. In contrast, a simple folded molecule can give rise to vesicles only when the chloroform content is 45-55%. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.10.073
• 作为产物：
  描述：

  3,5-Diamino-4-fluoro-N,N-dioctyl-benzamide 、 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以0.2 g的产率得到N1-(3-amino-5-(dioctylcarbamoyl)-2-fluorophenyl)-N3-(5-(dioctylcarbamoyl)-2-fluoro-3-(2-fluorobenzamido)phenyl)-2-fluoroisophthalamide
  参考文献：
  名称：

  Self-assembly of vesicles from the stacking of a dipodal F⋯H–N hydrogen bonded arylamide foldamer

  摘要：

  In this paper, we report the synthesis and self-assembling behavior of an F center dot center dot center dot H-N hydrogen bonding-induced arylamide-based dipodal foldamer. SEM, AFM. TEM, and XRD studies reveal that this preorganized oligomer stacks to form vesicles in methanol-chloroform (10-70%) binary solvents due to the strong stacking interaction of the folded segments and the supramolecular polymeric feature of the dipodal molecule in the stacked state. In contrast, a simple folded molecule can give rise to vesicles only when the chloroform content is 45-55%. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.10.073