Triphenyl-[2-[[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]methyl]phenyl]imino-lambda5-phosphane | 159428-07-6

• 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: Triphenyl-[2-[[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]methyl]phenyl]imino-lambda5-phosphane
• 英文别名: triphenyl-[2-[[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]methyl]phenyl]imino-λ5-phosphane
• CAS: 159428-07-6
• 化学式: C₄₉H₄₀N₂P₂
• 分子量: 718.818
• InChiKey: QIKNPBUMQVSEHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.9
• 重原子数：
  53
• 可旋转键数：
  10
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.02
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  二碳酸二叔丁酯 、 Triphenyl-[2-[[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]methyl]phenyl]imino-lambda5-phosphane 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以10%的产率得到6-Oxo-12H-dibenzo[d,g][1,3]diazocine-5,7-dicarboxylic acid di-tert-butyl ester
  参考文献：
  名称：

  A New and Efficient Preparation of Cyclic Carbodiimides from Bis(iminophosphoranes) and the System Boc2O/DMAP

  摘要：

  A one-pot synthesis of cyclic carbodiimides which involves reaction of C,C-bis(aryliminophosphoranes) connected by aliphatic bridges with Boc(2)O in the presence of DMAP is described. The method is also applicable when a heteroatom such as oxygen or nitrogen is incorporated into the tether connecting the two aromatic rings. A conformation study has been carried out on carbodiimide 23a, which posseses a central nine-membered ring, using H-1 NMR spectroscopy and semiempirical as well as molecular mechanics calculations.

  DOI：

  10.1021/jo00103a022
• 作为产物：
  描述：

  2,2'-亚甲基二苯胺 、 二溴三苯基膦 在 三乙胺 作用下， 以 苯 为溶剂， 反应 5.0h， 生成 Triphenyl-[2-[[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]methyl]phenyl]imino-lambda5-phosphane
  参考文献：
  名称：

  A New and Efficient Preparation of Cyclic Carbodiimides from Bis(iminophosphoranes) and the System Boc2O/DMAP

  摘要：

  A one-pot synthesis of cyclic carbodiimides which involves reaction of C,C-bis(aryliminophosphoranes) connected by aliphatic bridges with Boc(2)O in the presence of DMAP is described. The method is also applicable when a heteroatom such as oxygen or nitrogen is incorporated into the tether connecting the two aromatic rings. A conformation study has been carried out on carbodiimide 23a, which posseses a central nine-membered ring, using H-1 NMR spectroscopy and semiempirical as well as molecular mechanics calculations.

  DOI：

  10.1021/jo00103a022

文献信息

• A New and Efficient Preparation of Cyclic Carbodiimides from Bis(iminophosphoranes) and the System Boc2O/DMAP
  作者：Pedro Molina、Mateo Alajarin、Pilar Sanchez-Andrada、Jose Elguero、Maria Luisa Jimeno

  DOI：10.1021/jo00103a022

  日期：1994.12

  A one-pot synthesis of cyclic carbodiimides which involves reaction of C,C-bis(aryliminophosphoranes) connected by aliphatic bridges with Boc(2)O in the presence of DMAP is described. The method is also applicable when a heteroatom such as oxygen or nitrogen is incorporated into the tether connecting the two aromatic rings. A conformation study has been carried out on carbodiimide 23a, which posseses a central nine-membered ring, using H-1 NMR spectroscopy and semiempirical as well as molecular mechanics calculations.