| 1037511-86-6

• CAS: 1037511-86-6
• 化学式: C₄₁H₃₉B₂Fe₂N
• 分子量: 679.083
• InChiKey: OUECMGZGMKQJPJ-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：

  4-叔丁基吡啶 、 [ferrocenylBPh]2 以 二氯甲烷 为溶剂， 以82%的产率得到
  参考文献：
  名称：

  Examination of the Pyridine Binding to the Bifunctional Lewis Acid B,B′-Diphenyldiboradiferrocene

  摘要：

  The binding behavior of the bifunctional Lewis acid (775-C5H5Fe)(2)[mu-(C5H3(BPh))(2)] (3) toward different pyridine derivatives as the Lewis base has been investigated. The 1: 1 and 1:2 adducts, 3 center dot D and 3 center dot D2 (donor, D = 4-tert-butylpyridine (tBupy) and 4-dimethylaminopyridine (DMAP)), were obtained by low-temperature crystallization or slow solvent evaporation techniques. The complexes were fully characterized by multinuclear NMR, IR, and elemental analysis. Single-crystal X-ray diffraction data were collected for the 1: 1 adduct with DMAP and for both 1: 2 adducts, and the marked structural changes upon pyridine binding are discussed in detail. In solution, the 1:2 adducts were found to readily undergo dissociation with formation of the 1:1 adducts as the dominant species at room temperature. Variable-temperature NMR and UV-visible titration studies demonstrate that the first binding process is more than 5 orders of magnitude more favorable than the second binding process.

  DOI：

  10.1021/om8001608