| 1379513-15-1

• CAS: 1379513-15-1
• 化学式: C₆₂H₄₄FeN₂S
• 分子量: 904.958
• InChiKey: YKFIFMZNMUKYHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 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：

  2,5-bis(α-hydroxy-α-phenylmethyl)thiophene 、 在 CF₃COOH 、 2,3-dichloro-5,6-dicyano-1,4-benzoquinone 作用下， 以 二氯甲烷 为溶剂， 以4%的产率得到
  参考文献：
  名称：

  ansa-Ferrocene-Incorporated Calixpyrroles and Calixphyrins: Syntheses and Spectral/Structural Characterization

  摘要：

  The syntheses and spectral/structural characterization of ansa-ferrocene-incorporated normal calixphyrins and core-modified calixpyrroles and calixphyrins are reported. Acid-promoted dehydrative condensation of 1,1'-bis-(dimethylpyrrolylmethyl)ferrocene and 2,5-bis(dimethylhydroxymethyl)thiophene/furan yielded ansa-ferrocene-based core-modified calixpyrroles, while acid-catalyzed dehydrative condensation of 1,1'-bis(diphenylpyrrolylmethyl)ferrocene with the aryl aldehydes and 2,5-bis(phenylhydroxymethyl)thiophene followed by DDQ oxidation resulted in the formation of ansa-ferrocene-appended normal and core-modified calixphyrins, respectively. The newly synthesized macrocycles were characterized by FAB-MS, NMR, and UV-vis spectral analyses and finally confirmed by single-crystal X-ray structural analysis. All these studies clearly revealed the introduction of ferrocene in the main framework of the corresponding macrocycles in an ansa-type way. The core-modified calixpyrroles adopt a 1,3-alternate conformation, while the corresponding calixphyrins maintained partial planarity along the tripyrrin plane due to the presence of meso sp(2) carbon and generated curved staircase conformation. In addition to the intramolecular hydrogen-bonding interactions, calixphyrins generate self-assembled dimers, one- and two-dimensional supramolecular assemblies through intermolecular hydrogen bonding in the solid state.

  DOI：

  10.1021/om300004m