3-decyl-1-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)-1H-imidazol-3-ium iodide | 1228963-75-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 3-decyl-1-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)-1H-imidazol-3-ium iodide
• CAS: 1228963-75-4
• 化学式: C₂₈H₃₆N₃O₂*I
• 分子量: 573.517
• InChiKey: DXIIZGOKPLGPNZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.76
• 重原子数：
  34.0
• 可旋转键数：
  13.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  46.19
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-decyl-1-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)-1H-imidazol-3-ium iodide 在 ammonium hexafluorophosphate 作用下， 以 乙腈 为溶剂， 反应 48.0h， 以53.4%的产率得到
  参考文献：
  名称：

  The synthesis of 1,8-naphthalimide groups containing imidazolium salts/ionic liquids using I−, PF6−, TFSI− anions and their photophysical, electrochemical and thermal properties

  摘要：

  1,8-Naphthalimide groups containing imidazolium iodide salts of different alkyl chain length on the imidazole group were synthesized. Hexafluorophosphate and bis(trifluoromethanesulfonyl)imide salts were obtained by ion exchange reactions. The synthesized salts were characterized using a variety of spectroscopic techniques. Fluorescence emission quenching of iodide and bis(trifluoromethanesulfonyl) imide salts were studied using a ruthenium dye, whilst that of hexafluorophosphate salts were performed using tris(8-hydroxyquinoline)aluminum. Calculated fluorescence quenching rate constants were as high as 10(14)M(-1)s(-1) and values of the Gibbs free energy of electron transfer were [-32.04/-33.681],[-17.52/-20.741] and [-26.50/-30.89] kcal mol(-1) for the iodide, hexafluorophosphate and bis(trifluoromethanesulfonyl) imide salts, respectively. The thermal stability of the synthesized salts was high especially in the case of bis (trifluoromethanesulfonyl)imide salts for which values of 470-498 degrees C were achieved. Photostability studies of hexafluorophosphate and bis(trifluoromethanesulfonyl)imide salts were also performed: calculated photodegradation half-life values ranged from 19.25 to 48.12 h. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2010.01.005
• 作为产物：
  描述：

  2-(3-(1H-imidazol-1-yl)propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione 、 1-碘癸烷 以 甲苯 为溶剂， 以93.45%的产率得到3-decyl-1-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)-1H-imidazol-3-ium iodide
  参考文献：
  名称：

  The synthesis of 1,8-naphthalimide groups containing imidazolium salts/ionic liquids using I−, PF6−, TFSI− anions and their photophysical, electrochemical and thermal properties

  摘要：

  1,8-Naphthalimide groups containing imidazolium iodide salts of different alkyl chain length on the imidazole group were synthesized. Hexafluorophosphate and bis(trifluoromethanesulfonyl)imide salts were obtained by ion exchange reactions. The synthesized salts were characterized using a variety of spectroscopic techniques. Fluorescence emission quenching of iodide and bis(trifluoromethanesulfonyl) imide salts were studied using a ruthenium dye, whilst that of hexafluorophosphate salts were performed using tris(8-hydroxyquinoline)aluminum. Calculated fluorescence quenching rate constants were as high as 10(14)M(-1)s(-1) and values of the Gibbs free energy of electron transfer were [-32.04/-33.681],[-17.52/-20.741] and [-26.50/-30.89] kcal mol(-1) for the iodide, hexafluorophosphate and bis(trifluoromethanesulfonyl) imide salts, respectively. The thermal stability of the synthesized salts was high especially in the case of bis (trifluoromethanesulfonyl)imide salts for which values of 470-498 degrees C were achieved. Photostability studies of hexafluorophosphate and bis(trifluoromethanesulfonyl)imide salts were also performed: calculated photodegradation half-life values ranged from 19.25 to 48.12 h. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2010.01.005