| 1221437-08-6

• CAS: 1221437-08-6
• 化学式: C₃₅H₄₆OZr
• 分子量: 573.974
• InChiKey: LXOLMOSICDLZDQ-UHFFFAOYSA-M

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：

  (η9-1,3-diisopropylindenyl)(η5-1,3-diisopropylindenyl)zirconium 、 [(η5-C6Me5)(η1-C9H5-1,3-(CHMe2)2-1-C9κ1-O)(CH2)4-4-C(κ1-O))Zr] 、 [(η5-C6Me5)(η1-C9H5-1,3-(CHMe2)2-1-C(κ1-O)(CH2)4-6-C(κ1-O))Zr] 以 氘代苯 为溶剂， 生成 [(η5-C6Me5)(η5-C9H5-1,3-(CHMe2)2-4-C(κ1-O)(CH2)4O)Zr] 、
  参考文献：
  名称：

  Cyclopentanone Insertion into η⁹-Indenyl Rings of Zirconium Sandwich Complexes

  摘要：

  Addition of two equivalents of cyclopentanone to the bis(indenyl)zirconium sandwich compound (eta(9)-C9H5-1,3-Pr-i(2))(eta(5)-C9H5-1,3-Pr-i(2))Zr resulted in selective insertion of two equivalents of the ketone into the 1 and 4 positions of one of the indenyl ligands, and the resulting product was characterized by NMR spectroscopy and X-ray diffraction. For the mixed ring compound, (eta(5)-C5Me5)(eta(9)-C9H5-1,3-Pr-i(2))Zr, two isomeric double-insertion products were observed where C-C bond formation took place at the 1 and 4 (major) and 1 and 6 (minor) positions of the indenyl. The major product was characterized by X-ray diffraction. Deuterium labeling experiments and addition of substoichiometric amounts of ketones were used to gain insight into the preferred sites of insertion, and mono(ketone) intermediates were observed and characterized by NMR spectroscopy.

  DOI：

  10.1021/om100096g