methyl 5-dodecyl-3-(5-dodecyl-3-(5-dodecyl-3-(5-dodecyl-3-(5-dodecyl-2-fluoro-3-nitrobenzamido)-2-fluorobenzamido)-2-fluorobenzamido)-2-fluorobenzamido)-2-fluorobenzoate | 1315305-65-7

• 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: methyl 5-dodecyl-3-(5-dodecyl-3-(5-dodecyl-3-(5-dodecyl-3-(5-dodecyl-2-fluoro-3-nitrobenzamido)-2-fluorobenzamido)-2-fluorobenzamido)-2-fluorobenzamido)-2-fluorobenzoate
• CAS: 1315305-65-7
• 化学式: C₉₆H₁₄₂F₅N₅O₈
• 分子量: 1589.2
• InChiKey: SAIQDLRMDLPDSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  29.4
• 重原子数：
  114.0
• 可旋转键数：
  65.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  185.84
• 氢给体数：
  4.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  methyl 5-dodecyl-3-(5-dodecyl-3-(5-dodecyl-3-(5-dodecyl-3-(5-dodecyl-2-fluoro-3-nitrobenzamido)-2-fluorobenzamido)-2-fluorobenzamido)-2-fluorobenzamido)-2-fluorobenzoate 在 铁粉 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Planar Macrocyclic Fluoropentamers as Supramolecular Organogelators

  摘要：

  Despite their great diversities, 2D-shaped macrocycles that can serve as the organogelators have been surprisingly rare; two planar macrocyclic fluoropentamers designed by us were highly able to gelate organic solvents, largely derived from their strong tendency to form 1D stacked fibrillar structures stabilized by both interplanar H-bonds and pi-pi stacking forces.

  DOI：

  10.1021/ol201361f
• 作为产物：
  描述：

  5-dodecyl-2-fluoro-3-nitrobenzoic acid 、 在 氯化亚砜 、 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 以715 mg的产率得到methyl 5-dodecyl-3-(5-dodecyl-3-(5-dodecyl-3-(5-dodecyl-3-(5-dodecyl-2-fluoro-3-nitrobenzamido)-2-fluorobenzamido)-2-fluorobenzamido)-2-fluorobenzamido)-2-fluorobenzoate
  参考文献：
  名称：

  Planar Macrocyclic Fluoropentamers as Supramolecular Organogelators

  摘要：

  Despite their great diversities, 2D-shaped macrocycles that can serve as the organogelators have been surprisingly rare; two planar macrocyclic fluoropentamers designed by us were highly able to gelate organic solvents, largely derived from their strong tendency to form 1D stacked fibrillar structures stabilized by both interplanar H-bonds and pi-pi stacking forces.

  DOI：

  10.1021/ol201361f