| 1620484-66-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1620484-66-3
• 化学式: C₁₆H₂₃IN₂O₃
• 分子量: 418.275
• InChiKey: ZYAOPJUZEUZKDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.62
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  67.43
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  在 copper(l) iodide 、 四(三苯基膦)钯 、 potassium fluoride dihydrate 、 copper(II) sulfate 、 sodium ascorbate 、 二异丙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Preorganized Aryltriazole Foldamers as Effective Transmembrane Transporters for Chloride Anion

  摘要：

  Preorganized aryltriazole foldamers 1 and 2 were designed and synthesized. NMR studies and X-ray analysis demonstrate that 1 adopts a crescent conformation driven by a series of continuous hydrogen bonds at the periphery of the foldamer, whereas 2 displays a coil conformation. NMR titrations reveal that the affinities of fully preorganized foldamer 1 for halogen anions are much stronger that those of partially preorganized foldamer 2. Furthermore, it is found that such full preorganization makes 1 an effective transmembrane transporter for the chloride anion across a lipid bilayer.

  DOI：

  10.1021/ol501772v
• 作为产物：
  描述：

  N-(2-iodo-4-nitrophenyl)pivalamide 在 铁粉 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  Preorganized Aryltriazole Foldamers as Effective Transmembrane Transporters for Chloride Anion

  摘要：

  Preorganized aryltriazole foldamers 1 and 2 were designed and synthesized. NMR studies and X-ray analysis demonstrate that 1 adopts a crescent conformation driven by a series of continuous hydrogen bonds at the periphery of the foldamer, whereas 2 displays a coil conformation. NMR titrations reveal that the affinities of fully preorganized foldamer 1 for halogen anions are much stronger that those of partially preorganized foldamer 2. Furthermore, it is found that such full preorganization makes 1 an effective transmembrane transporter for the chloride anion across a lipid bilayer.

  DOI：

  10.1021/ol501772v