iron(3+);4-methylbenzenesulfonate;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;[4-[4-[6-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)hexanoyloxy]phenyl]phenyl] 4-octadecoxybenzoate | 255911-82-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: iron(3+);4-methylbenzenesulfonate;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;[4-[4-[6-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)hexanoyloxy]phenyl]phenyl] 4-octadecoxybenzoate
• CAS: 255911-82-1
• 化学式: C₇H₇O₃S*C₆₂H₈₆FeO₅
• 分子量: 1138.41
• InChiKey: HMTYXUUNQLARIS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  iron(2+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;[4-[4-[6-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)hexanoyloxy]phenyl]phenyl] 4-octadecoxybenzoate 、 silver(I) 4-methylbenzenesulfonate 以 二氯甲烷 、 丙酮 为溶剂， 以78%的产率得到iron(3+);4-methylbenzenesulfonate;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;[4-[4-[6-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)hexanoyloxy]phenyl]phenyl] 4-octadecoxybenzoate
  参考文献：
  名称：

  Switchable Mesomorphic Materials Based on the Ferrocene−Ferrocenium Redox System:  Electron-Transfer-Generated Columnar Liquid-Crystalline Phases

  摘要：

  Oxidation of the non-mesomorphic ferrocene derivative 1 with silver toluene-4-sulfonate gave the ferrocenium derivative 2, which showed a monotropic columnar phase. The latter two-dimensional phase is composed of ribbons, in which derivative 2 is organized into bilayers, and has a centered rectangular symmetry with a = 318.3 Angstrom and c = 94.9 Angstrom. The Mossbauer spectra of the ferrocene derivative 1 yields hyperfine parameters that are typical of these derivatives and are, as expected, virtually independent of temperature. In a similar fashion, the hyperfine parameters of the ferrocenium derivative 2 are typical of these derivatives, but in this case at both 78 and 4.2 K slow paramagnetic relaxation of the magnetic moment associated with the rather well isolated paramagnetic ferrocenium ion is observed. The temperature-dependent magnetic susceptibilities of 2 are in agreement with those expected for weakly interacting ferrocenium cores. No magnetic-field-induced orientation was observed upon cooling the sample from the isotropic phase down to the columnar phase; Ferrocene and ferrocenium are valuable units for the design of liquid-crystalline switches.

  DOI：

  10.1021/om9905308