12-phenyl-2,6-dioxa-9,15-dithia-12-aza-4(2,6)-pyridina-1,7(1,2)-dibenzenacyclohexadecaphane | 1131647-14-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 12-phenyl-2,6-dioxa-9,15-dithia-12-aza-4(2,6)-pyridina-1,7(1,2)-dibenzenacyclohexadecaphane
• CAS: 1131647-14-7
• 化学式: C₃₁H₃₂N₂O₂S₂
• 分子量: 528.739
• InChiKey: UUPGUIZBDRWERW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.23
• 重原子数：
  37.0
• 可旋转键数：
  1.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  34.59
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  12-phenyl-2,6-dioxa-9,15-dithia-12-aza-4(2,6)-pyridina-1,7(1,2)-dibenzenacyclohexadecaphane 、 4-硝基苯胺 在 硫酸 、 溶剂黄146 、 sodium nitrite 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.08h， 以90%的产率得到
  参考文献：
  名称：

  Thiaoxaaza-Macrocyclic Chromoionophores as Mercury(II) Sensors: Synthesis and Color Modulation

  摘要：

  Azo-coupled macrocyclic chromoionophores incorporating benzene (L-1) and pyridine (L-2) subunits were synthesized, respectively. In a cation-induced color change experiment, both receptors showed Hg2+ selectivity. However, L-1 gave a larger cation-induced hypsochromic shift than L-2, suggesting that the presence of the pyridine unit in L-2 may inhibit the Hg center dot center dot center dot N-azo interaction. The observed Hg2+-selective color changes for L-1 and L-2 were found to be controlled by anion-coordination ability. NMR titration of the proposed receptor ligand with Hg(II) salt was accomplished.

  DOI：

  10.1021/ol900241p
• 作为产物：
  描述：

  2,2'-(phenylazanediyl)diethanethiol 、 2,6-Bis<2'-(chloromethyl)phenoxymethyl>pyridine 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以47%的产率得到12-phenyl-2,6-dioxa-9,15-dithia-12-aza-4(2,6)-pyridina-1,7(1,2)-dibenzenacyclohexadecaphane
  参考文献：
  名称：

  Thiaoxaaza-Macrocyclic Chromoionophores as Mercury(II) Sensors: Synthesis and Color Modulation

  摘要：

  Azo-coupled macrocyclic chromoionophores incorporating benzene (L-1) and pyridine (L-2) subunits were synthesized, respectively. In a cation-induced color change experiment, both receptors showed Hg2+ selectivity. However, L-1 gave a larger cation-induced hypsochromic shift than L-2, suggesting that the presence of the pyridine unit in L-2 may inhibit the Hg center dot center dot center dot N-azo interaction. The observed Hg2+-selective color changes for L-1 and L-2 were found to be controlled by anion-coordination ability. NMR titration of the proposed receptor ligand with Hg(II) salt was accomplished.

  DOI：

  10.1021/ol900241p