| 392231-12-8

• CAS: 392231-12-8
• 化学式: C₄₈H₄₄B₄Fe₂N₈O₄
• 分子量: 951.867
• InChiKey: XWKCGJOWEBBVPZ-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'-fc[B(Me)NMe2]2 、 2,5-bis(pyrazol-1'-yl)-1,4-dihydroxybenzene 以 二氯甲烷 为溶剂， 以85%的产率得到
  参考文献：
  名称：

  Crystal Structure of a Rigid Ferrocene-Based Macrocycle from High-Resolution X-ray Powder Diffraction

  摘要：

  A macrocycle, 6, has been synthesized in high yield from 2,5-di(pyrazol-1-yl)hydroquinone and 1,1'-fc[B(Me)NMe2](2) {fc = Fe(C5H4)(2)}. The molecule incorporates two redox-active 1,1'-ferrocenylene units in its backbone and contains four chiral boron centers, each of them possessing the same configuration. It is demonstrated that crystal structures of organometallics of moderate complexity can be solved from high-resolution X-ray powder diffraction patterns, once the connectivity between the functional groups is known.

  DOI：

  10.1021/om0105066