[(bis(2-diphenylphosphinoethyl)phenylphosphine)Ni(CN-2,6-Me2C6H3)] | 566942-55-0

• 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: [(bis(2-diphenylphosphinoethyl)phenylphosphine)Ni(CN-2,6-Me2C6H3)]
• 英文别名: [Ni(triphos)(CN-xylyl)]；Bis(2-diphenylphosphanylethyl)-phenylphosphane;2-isocyano-1,3-dimethylbenzene;nickel
• CAS: 566942-55-0
• 化学式: C₄₃H₄₂NNiP₃
• 分子量: 724.424
• InChiKey: VJLUKLMJOHIHKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.91
• 重原子数：
  48
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  4.4
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  tetrafluoroboric acid 、 [(bis(2-diphenylphosphinoethyl)phenylphosphine)Ni(CN-2,6-Me2C6H3)] 以 四氢呋喃 、 乙醚 为溶剂， 以85%的产率得到
  参考文献：
  名称：

  Efficient Synthesis of N-Aryl Nickel(II) Carbenes by Protonation of Nickel(0) Isocyanide Complexes

  摘要：

  The new nickel isocyanide complex [Ni(triphos)(CN-xylyl)] (1) has been prepared by the reaction of Ni(COD)2, triphos (triphos = bis(2-diphenylphosphinoethyl)phenylphosphine), and CN-xylyl (xylyl = 2,6-Me2C6H3) Complex 1 adds 2 equiv of HBF4 to afford a stable dicationic nickel carbene complex, [Ni(triphos)-C(H)N(H)xylyl](2+) (BF4)(2)(-) (2), in high yield. Nickel carbene 2 exhibits transfer hydrogenation of ketones.

  DOI：

  10.1021/om030108y
• 作为产物：
  描述：

  bis(1,5-cyclooctadiene)nickel (0) 、 2,6-二甲基苯基异腈 、 双(2-二苯基膦乙基)苯基磷 以 四氢呋喃 为溶剂， 以90%的产率得到[(bis(2-diphenylphosphinoethyl)phenylphosphine)Ni(CN-2,6-Me2C6H3)]
  参考文献：
  名称：

  Efficient Synthesis of N-Aryl Nickel(II) Carbenes by Protonation of Nickel(0) Isocyanide Complexes

  摘要：

  The new nickel isocyanide complex [Ni(triphos)(CN-xylyl)] (1) has been prepared by the reaction of Ni(COD)2, triphos (triphos = bis(2-diphenylphosphinoethyl)phenylphosphine), and CN-xylyl (xylyl = 2,6-Me2C6H3) Complex 1 adds 2 equiv of HBF4 to afford a stable dicationic nickel carbene complex, [Ni(triphos)-C(H)N(H)xylyl](2+) (BF4)(2)(-) (2), in high yield. Nickel carbene 2 exhibits transfer hydrogenation of ketones.

  DOI：

  10.1021/om030108y