1,1'-bis(ethenyl-4-pyridyl)ferrocene * (+/-)-1,1'-binaphtol | 252579-50-3

• 英文名称: 1,1'-bis(ethenyl-4-pyridyl)ferrocene * (+/-)-1,1'-binaphtol
• 英文别名: 2 1,1'-bis(ethenyl-4-pyridyl)ferrocene * (+/-)-1,1'-binaphtol；3 1,1'-bis(ethenyl-4-pyridyl)ferrocene * 2 (+/-)-1,1'-binaphtol
• CAS: 252579-50-3
• 化学式: C₂₀H₁₄O₂*C₂₄H₂₀FeN₂
• 分子量: 678.613
• InChiKey: XXUOVHMSJZKERD-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：

  1,1'-bis(ethenyl-4-pyridyl)ferrocene 、 S-1,1'-联-2-萘酚 以 甲醇 为溶剂， 以58%的产率得到1,1'-bis(ethenyl-4-pyridyl)ferrocene * (+/-)-1,1'-binaphtol
  参考文献：
  名称：

  Organometallic−Organic Hybrid Crystals from Ferrocenyl Dipyridine and Binaphthol:  Different Crystal Structures and Nonlinear Optical Properties Depending upon the Reaction Medium and Optical Purity of Binaphthol

  摘要：

  The hydrogen bond directed molecular recognition between 1,1'-bis(ethenyl-4-pyridyl)ferrocene (1) and (+/-)-1,1'-binaphthol (2)/(-)-1,1'-binaphthol ((-)-2) has been studied by cocrystallization in different solvents. Single-crystal X-ray structures reveal that 3:2, 2:1, and 1:1 complexes (3, 4, and 5, respectively) of 1,1'-bis(ethenyl-4-pyridyl)ferrocene (1) and (+/-)-1,1-binaphthol (2) are formed in tetrahydrofuran, methanol, and ethanol, respectively. 5 has a noncentrosymmetric packing arrangement, and an efficiency of 0.3 times that of urea in second-harmonic generation has been measured at 1295 nm. An X-ray crystal structure of 6, 1:1 complex of 1 with (-)-2 in ethanol, reveals that all the molecular dipoles are aligned in the same direction (i.e, a polar crystal), but 6 has modest nonlinear optical properties (ca. 0.4 times that of urea).

  DOI：

  10.1021/om990544d