| 1321654-51-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1321654-51-6
• 化学式: C₆₀H₆₀Cl₃N₃O₆
• 分子量: 1025.51
• InChiKey: DGMZBSDGJYHARJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.14
• 重原子数：
  72.0
• 可旋转键数：
  24.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  114.99
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3-羟基-2-萘甲酸甲酯 、 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以76%的产率得到C₉₆H₈₇N₃O₁₅
  参考文献：
  名称：

  Synthesis of tripodands with multiple hydroxyl and amide groups exhibiting fluorescent anion sensing

  摘要：

  Novel tripodal receptors (T2 and T3) having multiple hydroxyl and amide groups with long alkyl chains (N-dodecylamino and N,N-didodecylamino groups, respectively) were prepared. The broadening of proton signals observed in the 1H NMR spectrum of compounds T2 and T3 in a non-polar solvent (CDCl3) was attributed to intermolecular and/or intramolecular hydrogen bonding. In the fluorescence spectrum, the addition of Bu4NF to the solution of receptors T2 and T3 caused the drastic increase in fluorescence intensity compared with the addition of other anion species.

  DOI：

  10.1080/10610278.2010.531139
• 作为产物：
  描述：

  在 氯化亚砜 、 水 、 三乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  Synthesis of tripodands with multiple hydroxyl and amide groups exhibiting fluorescent anion sensing

  摘要：

  Novel tripodal receptors (T2 and T3) having multiple hydroxyl and amide groups with long alkyl chains (N-dodecylamino and N,N-didodecylamino groups, respectively) were prepared. The broadening of proton signals observed in the 1H NMR spectrum of compounds T2 and T3 in a non-polar solvent (CDCl3) was attributed to intermolecular and/or intramolecular hydrogen bonding. In the fluorescence spectrum, the addition of Bu4NF to the solution of receptors T2 and T3 caused the drastic increase in fluorescence intensity compared with the addition of other anion species.

  DOI：

  10.1080/10610278.2010.531139