Ni [1,3-bis(di(ortho-methoxyphenyl)phosphanyl)-2-propanol] I2 | 620961-73-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Ni [1,3-bis(di(ortho-methoxyphenyl)phosphanyl)-2-propanol] I2
• CAS: 620961-73-1
• 化学式: C₃₁H₃₄I₂NiO₅P₂
• 分子量: 861.054
• InChiKey: ARBUNIHJAXQOPP-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.35
• 重原子数：
  41.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  57.15
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  1,3-bis(di(ortho-methoxyphenyl)phosphanyl)-2-propanol 、 氢碘酸 、 nickel(II) acetate tetrahydrate 以 乙醇 、 氯仿 为溶剂， 以35%的产率得到Ni [1,3-bis(di(ortho-methoxyphenyl)phosphanyl)-2-propanol] I2
  参考文献：
  名称：

  New nickel-containing homogeneous hydrogenation catalysts

  摘要：

  The didentate phosphane ligands 1,3-bis(di(ortho-methoxyphenyl)phosphanyl)-2-propanol (o-MeO-dpppol) and 1,2-bis(dicyclohexylphosphanyl)ethane (dcpe) have been used in a study towards catalytic hydrogenation using homogeneous nickel catalysts. The nickel halide complexes [Ni(o-MeO-dpppol)X-2] and [Ni(dcpe)X-2] (X = Cl, Br or I) have been synthesized and were characterized using electronic absorption and IR spectroscopy. The structures of the complexes [Ni(o-MeO-dpppol)Cl-2] and [Ni(dcpe)Cl-2] have been determined by X-ray crystallography. The nickel ions in these complexes are in (distorted) square-planar geometries with NiP2Cl2 chromophores. The synthesized halide complexes and in situ mixtures of nickel acetate and the ligands were tested on catalytic activity in homogeneous hydrogenation. The ligand dcpe yields very active catalysts; turnover numbers up to 3000 in I h have been obtained. Generally, it appeared that the catalytic activities are higher in methanol than in methanol/dichloromethane mixtures. It was found that the catalytic activities observed for complexes containing the ligand o-MeO-dpppol are less reproducible than those of catalysts with the ligand dcpe. This lower reproducibility is probably related to the fact that the former ligand is more readily oxidized. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1381-1169(03)00216-4