κ²PN-(4-methyl-N-(2-(diphenylphosphino)phenyl)-2-(1H-pyrazol-1-yl)benzenamine(-1H))Rh(tert-butyl isocyanide)₂ | 1432670-62-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: κ²PN-(4-methyl-N-(2-(diphenylphosphino)phenyl)-2-(1H-pyrazol-1-yl)benzenamine(-1H))Rh(tert-butyl isocyanide)₂
• 英文别名: κ²PN-(4-methyl-N-(2-(diphenylphosphino)phenyl)-2-(1H-pyrazol-1-yl)benzenamine(-1H))Rh(CN^tBu)₂
• CAS: 1432670-62-6
• 化学式: C₃₈H₄₁N₅PRh
• 分子量: 701.656
• InChiKey: NKWQKKCTJQQXMG-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  κ²PN-(4-methyl-N-(2-(diphenylphosphino)phenyl)-2-(1H-pyrazol-1-yl)benzenamine(-1H))Rh(tert-butyl isocyanide)₂ 、 碘甲烷 以 二氯甲烷 为溶剂， 反应 41.0h， 以96%的产率得到cis,mer-[(4-methyl-N-(2-(diphenylphosphino)phenyl)-2-(1H-pyrazol-1-yl)benzenamine(-1H))Rh(Me)(tert-butyl isocyanide)₂](I)
  参考文献：
  名称：

  Rhodium Complexes of a New Structurally Adaptive PNN-Pincer Type Ligand

  摘要：

  A new PNN-pincer type ligand with pyrazolyl and diphenylphosphine flanking donors on a diarylamido anchor has been prepared. Its bis(tert-butyl isocyanide)rhodium(I) complex exhibits hemilabile behavior in solution, and its solid-state structure verified the elusive (KP)-P-2,N coordination mode for this type of ligand. Reactions between (PNN)Rh((CNBu)-Bu-t)(2) and iodomethane afford both fac- and cis,mer-[(PNN)Rh((CNBu)-Bu-t)(2)(Me)RI), which further showcases the structural versatility of the ligand.

  DOI：

  10.1021/om400151e
• 作为产物：
  描述：

  2-iodo-N-(4-methyl-2-(1H-pyrazol-1-yl)phenyl)benzenamine 在 tris-(dibenzylideneacetone)dipalladium(0) 、 三乙胺 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 、 丙酮 为溶剂， 反应 17.25h， 生成 κ²PN-(4-methyl-N-(2-(diphenylphosphino)phenyl)-2-(1H-pyrazol-1-yl)benzenamine(-1H))Rh(tert-butyl isocyanide)₂
  参考文献：
  名称：

  Rhodium Complexes of a New Structurally Adaptive PNN-Pincer Type Ligand

  摘要：

  A new PNN-pincer type ligand with pyrazolyl and diphenylphosphine flanking donors on a diarylamido anchor has been prepared. Its bis(tert-butyl isocyanide)rhodium(I) complex exhibits hemilabile behavior in solution, and its solid-state structure verified the elusive (KP)-P-2,N coordination mode for this type of ligand. Reactions between (PNN)Rh((CNBu)-Bu-t)(2) and iodomethane afford both fac- and cis,mer-[(PNN)Rh((CNBu)-Bu-t)(2)(Me)RI), which further showcases the structural versatility of the ligand.

  DOI：

  10.1021/om400151e