2,2'-(4-(5-decylheptadecyloxy)pyridine-2,6-diyl)bis(1-(5-decylheptadecyl)-1H-benzo[d]imidazole) | 1350721-25-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2,2'-(4-(5-decylheptadecyloxy)pyridine-2,6-diyl)bis(1-(5-decylheptadecyl)-1H-benzo[d]imidazole)
• 英文别名: 2,2'-(4-(5-decylheptadecyloxy)pyridine-2,6-diyl)bis(1-(5-decylheptadecyl)-1Hbenzo[d]imidazole)
• CAS: 1350721-25-3
• 化学式: C₁₀₀H₁₇₅N₅O
• 分子量: 1463.52
• InChiKey: UMEFTVPABRZAFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  34.38
• 重原子数：
  106.0
• 可旋转键数：
  78.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  57.76
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  氟硼酸钠 、 iron(II) chloride tetrahydrate 、 2,2'-(4-(5-decylheptadecyloxy)pyridine-2,6-diyl)bis(1-(5-decylheptadecyl)-1H-benzo[d]imidazole) 在 ascorbic acid 作用下， 以 甲醇 、 氯仿 为溶剂， 以70%的产率得到[Fe(2,2'-(4-(5-decylheptadecyloxy)pyridine-2,6-diyl)bis(1-(5-decylheptadecyl)-1Hbenzo[d]imidazole)2](BF4)2
  参考文献：
  名称：

  Iron(II) spin crossover complexes with branched long alkyl chain

  摘要：

  The bzimpy iron(II) complexes, 1-3, containing branched long alkyl chains were synthesized and characterized in detail. The temperature-dependant magnetic susceptibility of 1 showed gradual spin crossover behavior from low spin to high spin state, while 2 retained only low spin state in the same condition. Interestingly, 3 displayed an abrupt spin transition in temperature range from T,(1/2)vertical bar = 236 K to T-1/(2)down arrow = 230 K with the thermal hysteresis loop about 6 K. The differential scanning calorimetric analysis of 3 revealed two species of liquid crystal phase transitions at 236 K and 351 K, respectively. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.02.015
• 作为产物：
  描述：

  1-溴-5-癸基十七烷 、 2,6-双(1H-苯并咪唑-2-基)-1H-吡啶-4-酮 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以71%的产率得到2,2'-(4-(5-decylheptadecyloxy)pyridine-2,6-diyl)bis(1-(5-decylheptadecyl)-1H-benzo[d]imidazole)
  参考文献：
  名称：

  Iron(II) spin crossover complexes with branched long alkyl chain

  摘要：

  The bzimpy iron(II) complexes, 1-3, containing branched long alkyl chains were synthesized and characterized in detail. The temperature-dependant magnetic susceptibility of 1 showed gradual spin crossover behavior from low spin to high spin state, while 2 retained only low spin state in the same condition. Interestingly, 3 displayed an abrupt spin transition in temperature range from T,(1/2)vertical bar = 236 K to T-1/(2)down arrow = 230 K with the thermal hysteresis loop about 6 K. The differential scanning calorimetric analysis of 3 revealed two species of liquid crystal phase transitions at 236 K and 351 K, respectively. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.02.015