| 1154425-34-9

• CAS: 1154425-34-9；1159074-50-6
• 化学式: C₁₀H₁₆BNZr
• 分子量: 252.279
• InChiKey: YLTUSCGGVNIBFX-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：

  硼烷铵络合物 、 二氯二茂锆 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Characterization of β-B-Agostic Isomers in Zirconocene Amidoborane Complexes

  摘要：

  The reaction of (Cp2ZrCl2)-Zr-x (Cp-x = Cp, Cp*) with ammonia borane in presence of n-butyllithium yielded Cp2Zr(Cl)NH2BH3 and (Cp2Zr)-Zr-x(H)NH2BH3. These derivatives are isoelectronic with the ethyl zirconocene chloride and hydride, respectively, and feature a chelating amidoborane ligand coordinating through a Zr-N bond and a Zr-H-B bridge. In solution, each of the complexes consists of an equilibrium mixture of two isomers differing in the orientation of the amidoborane ligand with respect to the Zr-X bond (X = H, Cl), while in the solid state, only one isomer was observed. Such isomers have not been characterized for any metal complexes containing the isoelectronic beta-agostic ethyl ligand or any other agostic alkyl group.

  DOI：

  10.1021/ja901460y