rac-[Fe(C5H3(C6H5)(C6H4CCC6H4NH2))2 | 541503-43-9

• 英文名称: rac-[Fe(C5H3(C6H5)(C6H4CCC6H4NH2))2
• 英文别名: meso-[Fe(C5H3(C6H5)(C6H4CCC6H4NH2))2
• CAS: 541503-43-9；541503-38-2；934426-42-3；934426-38-7
• 化学式: C₅₀H₃₆FeN₂
• 分子量: 720.696
• InChiKey: PYHVJQYJXRNFST-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

• 作为反应物：
  描述：

  rac-[Fe(C5H3(C6H5)(C6H4CCC6H4NH2))2 、 氢气 在 PtO₂ 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 以80%的产率得到iron(2+);3-[2-[4-(3-phenylcyclopenta-1,4-dien-1-yl)phenyl]ethyl]aniline;3-[2-[4-(4-phenylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]aniline
  参考文献：
  名称：

  Light-Driven Open−Close Motion of Chiral Molecular Scissors

  摘要：

  The first example of "light-driven chiral molecular scissors" (1), which consists of 1,1',3,3'-tetraarylferrocene as a pivot part and azobenzene as a driving part, was synthesized. Absorption, circular dichroism (CD), and 1H NMR spectral studies on the photoinduced isomerization process of an enantiomer of 1 agreed well with a prediction by a DFT calculation, where a motion of the handles via light-driven contraction/expansion of the connecting azobenzene strap was transformed, through a pivotal motion of the ferrocene unit, into an open-close motion of the blade parts.

  DOI：

  10.1021/ja034994f
• 作为产物：
  描述：

  、 3-氨基苯乙炔 在 Pd(P(C₆H₅)3)2Cl₂ 、 CuI 作用下， 以 三乙胺 为溶剂， 以45%的产率得到rac-[Fe(C5H3(C6H5)(C6H4CCC6H4NH2))2
  参考文献：
  名称：

  Light-Driven Open−Close Motion of Chiral Molecular Scissors

  摘要：

  The first example of "light-driven chiral molecular scissors" (1), which consists of 1,1',3,3'-tetraarylferrocene as a pivot part and azobenzene as a driving part, was synthesized. Absorption, circular dichroism (CD), and 1H NMR spectral studies on the photoinduced isomerization process of an enantiomer of 1 agreed well with a prediction by a DFT calculation, where a motion of the handles via light-driven contraction/expansion of the connecting azobenzene strap was transformed, through a pivotal motion of the ferrocene unit, into an open-close motion of the blade parts.

  DOI：

  10.1021/ja034994f