| 170120-61-3

• CAS: 170120-61-3
• 化学式: C₁₇H₁₉Cl₅N₂Ni
• 分子量: 487.306
• InChiKey: SUAUSVHMBGGCPG-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：

  2,4,6-三甲基吡啶 、 bis(1,5-cyclooctadiene)nickel (0) 、 2,3,4,5,6-Pentachlor-N,N-dimethylbenzylamin 以 四氢呋喃 为溶剂， 以43%的产率得到
  参考文献：
  名称：

  Preparation of Five-Membered Nickelacycles of N-Donor Ligands by Activation of C-X Bonds (X = F, Cl, or Br). X-ray Crystal Structure of [NiBr{2-(CH:NCH2Ph)C6H4}(2,4,6-Me3C5H2N)]

  摘要：

  The five-membered metallacycles [Ni(C-N)XL] (L = 2-picoline, 2,4-lutidine, or 2,4,6-collidine, X = Cl or Br) have been prepared by reaction of [Ni(cod)(2)] with ortho halo-substituted imines or N,N-dimethylbenzylamines in toluene or tetrahydrofuran, in the presence of an aromatic amine as stabilizing ligand. The molecular structure of [NiBr{2(CH=NCH(2)Ph)C6H4}{2,4,6-Me(3)(C5H2N)}] has been determined by a single-crystal X-ray crystallographic study. The reaction of [Ni(cod)(2)] with ortho halo-substituted imines or with C(6)Cl(5)CH(2)NMe(2), in toluene or THF, in the presence of dimethylphenylphosphine, gave the metalated compounds [NiX(C-N)(PMe(2)Ph)(2)], 8 or 9, through oxidative addition of one of the ortho C-X bonds (X = Br or Cl) of the N-donor ligand. All the spectroscopic evidence indicates a square-planar geometry for these compounds, with the phosphine molecules in a trans arrangement and the iminic nitrogen atom in an axial position around the metal, giving a pseudopentacoordinated compound. Surprisingly, when the oxidative addition reaction was performed in a 1/1 molar ratio of nickel/phosphine, the formation of the metallacycles [NiX(C-N)(PMe(2)Ph)] was not observed, but 8 or 9, containing two phosphine molecules by the metal atom, were formed. The oxidative addition of one of the ortho C-F bonds of the imine C6F5CH=NCH(2)Ph to [Ni(cod)(2)] was also observed under very mild conditions, and compound [NiBr(C6F4CH=NCH(2)Ph)(PMe(2)Ph)(2)] was obtained when the reaction was performed in the presence of LiBr and PMe(2)Ph.

  DOI：

  10.1021/om00012a022