benzene;(4-methylpyridin-2-yl)-trimethylsilylazanide;zirconium(4+) | 173603-42-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzene;(4-methylpyridin-2-yl)-trimethylsilylazanide;zirconium(4+)
• CAS: 173603-42-4
• 化学式: C₃₃H₅₀N₆Si₃Zr
• 分子量: 706.281
• InChiKey: MQLMDAYIBOWBEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.17
• 重原子数：
  43
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  41.7
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  、 苯基锂 以 乙醚 、 正己烷 为溶剂， 以68%的产率得到benzene;(4-methylpyridin-2-yl)-trimethylsilylazanide;zirconium(4+)
  参考文献：
  名称：

  Mononuclear Tris(aminopyridinato)zirconium Alkyl, Aryl, and Alkynyl Complexes

  摘要：

  The reaction of 3 equiv of 4-methyl-2-((trimethylsilyl)amino)pyridine (TMS-AP-H) with (Me(2)N)(2)-ZrCl2THF)(2) or the in situ lithiation of TMS-AP-H followed by addition of ZrCl4 affords (TMS-AP)(3)Zr-Cl (1) in high yield. The X-ray analysis of 1 reveals a mononuclear zirconium 'complex coordinated by six nitrogen atoms with an overall 3-fold molecule symmetry. The eta(2)-coordinated aminopyridinato ligands arrange in a propeller-like fashion. The reactions of 1 with MeLi, phenyllithium, and (phenylethynyl)lithium afford the corresponding sigma-alkyl, -aryl, and -alkynyl complexes ((TMS-AP)(3)Zr-Me (2), (TMS-AP)(3)Zr-Ph (3), and (TMS-AP)(3)Zr-C=CPh (4). X-ray diffraction studies of 4 establish its monomeric structure, a long Zr-C bond distance, and a sterically shielded alkynyl ligand.

  DOI：

  10.1021/om9507282