1,3-bis(2,6-dimethylphenyl)-4,5-dimethyl-2-(diphenylphosphino)-2,3-dihydro-1,3,2-diazaphosphole | 1296274-53-7

• 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: 1,3-bis(2,6-dimethylphenyl)-4,5-dimethyl-2-(diphenylphosphino)-2,3-dihydro-1,3,2-diazaphosphole
• 英文别名: 1,3-bis(2',6'-dimethylphenyl)-4,5-dimethyl-2-diphenylphosphino[1.3.2]diazaphospholene；[1,3-Bis(2,6-dimethylphenyl)-4,5-dimethyl-1,3,2-diazaphosphol-2-yl]-diphenylphosphane；[1,3-bis(2,6-dimethylphenyl)-4,5-dimethyl-1,3,2-diazaphosphol-2-yl]-diphenylphosphane
• CAS: 1296274-53-7
• 化学式: C₃₂H₃₄N₂P₂
• 分子量: 508.583
• InChiKey: TYQHLSYGPWGIOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,3-bis(2,6-dimethylphenyl)-4,5-dimethyl-2-(diphenylphosphino)-2,3-dihydro-1,3,2-diazaphosphole 、 丙烯腈 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 2-[1,3-bis(2,6-dimethylphenyl)-4,5-dimethyl-2,3-dihydro-1,3,2-diazaphosphol-2-yl]-3-(diphenylphosphino)propanenitrile
  参考文献：
  名称：

  Synthesis and Characterization of an Unsymmetrical 1,2-Diphosphinoethanide Complex

  摘要：

  A palladium 1,2-ethylene-bisphosphine complex prepared by diphosphination of acrylonitrile and subsequent complexation undergoes facile and reversible C deprotonation at a backbone carbon atom. The 1,2-diphosphinoethanide complex that formed was characterized by spectroscopic data and a single-crystal X-ray diffraction study. The reaction may explain the previously observed configurational lability of coordinated 1, 2-bisphosphine ligands with electron-withdrawing substituents.

  DOI：

  10.1021/om200069t
• 作为产物：
  描述：

  、 二苯基膦 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以78%的产率得到1,3-bis(2,6-dimethylphenyl)-4,5-dimethyl-2-(diphenylphosphino)-2,3-dihydro-1,3,2-diazaphosphole
  参考文献：
  名称：

  Synthesis and Characterization of an Unsymmetrical 1,2-Diphosphinoethanide Complex

  摘要：

  A palladium 1,2-ethylene-bisphosphine complex prepared by diphosphination of acrylonitrile and subsequent complexation undergoes facile and reversible C deprotonation at a backbone carbon atom. The 1,2-diphosphinoethanide complex that formed was characterized by spectroscopic data and a single-crystal X-ray diffraction study. The reaction may explain the previously observed configurational lability of coordinated 1, 2-bisphosphine ligands with electron-withdrawing substituents.

  DOI：

  10.1021/om200069t

文献信息

• Synthesis and Characterization of an Unsymmetrical 1,2-Diphosphinoethanide Complex
  作者：Daniela Förster、Martin Nieger、Dietrich Gudat

  DOI：10.1021/om200069t

  日期：2011.5.9

  A palladium 1,2-ethylene-bisphosphine complex prepared by diphosphination of acrylonitrile and subsequent complexation undergoes facile and reversible C deprotonation at a backbone carbon atom. The 1,2-diphosphinoethanide complex that formed was characterized by spectroscopic data and a single-crystal X-ray diffraction study. The reaction may explain the previously observed configurational lability of coordinated 1, 2-bisphosphine ligands with electron-withdrawing substituents.