2-((dimethylamino)methyl)-N-(2-(diphenylphosphino)phenyl)aniline | 1264268-07-6

• 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: 2-((dimethylamino)methyl)-N-(2-(diphenylphosphino)phenyl)aniline
• 英文别名: 2-[(dimethylamino)methyl]-N-(2-diphenylphosphanylphenyl)aniline
• CAS: 1264268-07-6
• 化学式: C₂₇H₂₇N₂P
• 分子量: 410.499
• InChiKey: IVJJEBIISMRVLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [Rh(coe)₂OH]₂ 、 2-((dimethylamino)methyl)-N-(2-(diphenylphosphino)phenyl)aniline 以 乙醚 为溶剂， 以22%的产率得到[Rh(N(C6H4PPh2)(C6H4CH2NMe2))(COE)]
  参考文献：
  名称：

  Tunable Hemilabile Ligands for Adaptive Transition Metal Complexes

  摘要：

  A new family of monoanionic hemilabile ligands L1H-L3H with a PNN donor set has been developed, based on Pd-catalyzed C-N bond formation and straightforward phosphorylation. For these structurally related compounds with a hybrid set of donor atoms, the coordination chemistry with both Rh and Ir has been studied. The anticipated hemilabile character of the dimethylamino group was assessed by NMR and IR competition experiments, using isopropyl isocyanide as exogenous substrate. Supporting DFT calculations were used to quantify the electronic differences between the various members of the ligand family. In effect, we have constructed a modular ligand class that exhibits tunable hemilability.

  DOI：

  10.1021/om100804k
• 作为产物：
  描述：

  邻碘溴苯 、 2-二甲氨基甲基苯胺 在 1,1'-双(二苯基膦)二茂铁 、 tris-(dibenzylideneacetone)dipalladium(0) 、 正丁基锂 、 sodium t-butanolate 作用下， 以 乙醚 、 正己烷 、 甲苯 为溶剂， 生成 2-((dimethylamino)methyl)-N-(2-(diphenylphosphino)phenyl)aniline
  参考文献：
  名称：

  Tunable Hemilabile Ligands for Adaptive Transition Metal Complexes

  摘要：

  A new family of monoanionic hemilabile ligands L1H-L3H with a PNN donor set has been developed, based on Pd-catalyzed C-N bond formation and straightforward phosphorylation. For these structurally related compounds with a hybrid set of donor atoms, the coordination chemistry with both Rh and Ir has been studied. The anticipated hemilabile character of the dimethylamino group was assessed by NMR and IR competition experiments, using isopropyl isocyanide as exogenous substrate. Supporting DFT calculations were used to quantify the electronic differences between the various members of the ligand family. In effect, we have constructed a modular ligand class that exhibits tunable hemilability.

  DOI：

  10.1021/om100804k

文献信息

• Tunable Hemilabile Ligands for Adaptive Transition Metal Complexes
  作者：Ronald Lindner、Bart van den Bosch、Martin Lutz、Joost N. H. Reek、Jarl Ivar van der Vlugt

  DOI：10.1021/om100804k

  日期：2011.2.14

  A new family of monoanionic hemilabile ligands L1H-L3H with a PNN donor set has been developed, based on Pd-catalyzed C-N bond formation and straightforward phosphorylation. For these structurally related compounds with a hybrid set of donor atoms, the coordination chemistry with both Rh and Ir has been studied. The anticipated hemilabile character of the dimethylamino group was assessed by NMR and IR competition experiments, using isopropyl isocyanide as exogenous substrate. Supporting DFT calculations were used to quantify the electronic differences between the various members of the ligand family. In effect, we have constructed a modular ligand class that exhibits tunable hemilability.