1-ferrocenylmethyl-2-ferrocenyl-3-methylbenzimidazolium iodide | 1494676-46-8

• 英文名称: 1-ferrocenylmethyl-2-ferrocenyl-3-methylbenzimidazolium iodide
• CAS: 1494676-46-8
• 化学式: C₂₉H₂₇Fe₂N₂*I
• 分子量: 642.145
• InChiKey: ISRCCEGVHLSCEZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  1-ferrocenylmethyl-2-ferrocenylbenzimidazole 、 碘甲烷 以 乙腈 为溶剂， 反应 12.0h， 以78%的产率得到1-ferrocenylmethyl-2-ferrocenyl-3-methylbenzimidazolium iodide
  参考文献：
  名称：

  Synthesis, crystal structure and properties of benzimidazole-bridged dinuclear ferrocenyl derivatives

  摘要：

  1-Ferrocenyl methyl-2-ferrocenyl-3-methylbenzimidazolium iodide (3) and 1-ferrocenyl methyl-2-ferrocenyl-3-ethylbenzimidazolium iodide (4) have been synthesized and fully characterized by MS, IR, H-1 NMR, C-13 NMR and elemental analysis. The structure-property relationship was investigated based on single crystal X-ray diffraction analysis, UV-Vis spectroscopy, electrochemical measurements and density functional theory calculations (DFT). The mechanism of the electron transfer of 3 has been studied by DFT. Their catalytic effect on the thermal decomposition of ammonium perchlorate (AP) was investigated using differential scanning calorimetry (DSC) and thermogravimetry (TG). The results from DSC and TG analysis indicate that 3 and 4 are of high catalytic effect on lowering the decomposition temperature of AP. We expect that the novel benzimidazole-bridged dinuclear ferrocenyl derivatives would have great value in preparing high-burning-rate catalyst for composite solid propellants. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2013.11.034