N,N'-diisopropyl-2,2'-methylene-bis-p-toluidine | 288393-25-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N'-diisopropyl-2,2'-methylene-bis-p-toluidine
• 英文别名: N,N'-diisopropyl-2,2'-methylenebis-p-toluidine；4-methyl-2-[[5-methyl-2-(propan-2-ylamino)phenyl]methyl]-N-propan-2-ylaniline
• CAS: 288393-25-9
• 化学式: C₂₁H₃₀N₂
• 分子量: 310.483
• InChiKey: AVZYHFHUNSMIJN-UHFFFAOYSA-N

物化性质

• 沸点：
  451.6±45.0 °C(Predicted)
• 密度：
  1.011±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  24.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N,N'-diisopropyl-2,2'-methylene-bis-p-toluidine 在 三乙胺 、 三氯化磷 作用下， 以 正己烷 、 苯 为溶剂， 生成 2-diethylimino-1,3-diisopropyl-4,5;7,8-dibenzo-11,11'-dimethyl-1,3,2-diazaphosphocane
  参考文献：
  名称：

  摘要：

  A procedure was developed for preparing 4,5;7,8-dibenzo-1,3,2-diazaphosphocanes containing trivalent and pentavalent phosphorus atoms. The structure of the compounds was determined by NMR spectroscopy and single crystal X-ray diffraction. The conformational transitions of the diazaphosphocanes in solution were analyzed. First data were obtained on transformations of the obtained eight-membered heterocycles.

  DOI：

  10.1023/a:1015409231657
• 作为产物：
  描述：

  2-碘代丙烷 、 4,4'-二甲基-2,2'-亚甲基二苯胺 以 乙醇 为溶剂， 反应 24.0h， 以65%的产率得到N,N'-diisopropyl-2,2'-methylene-bis-p-toluidine
  参考文献：
  名称：

  摘要：

  A procedure was developed for preparing 4,5;7,8-dibenzo-1,3,2-diazaphosphocanes containing trivalent and pentavalent phosphorus atoms. The structure of the compounds was determined by NMR spectroscopy and single crystal X-ray diffraction. The conformational transitions of the diazaphosphocanes in solution were analyzed. First data were obtained on transformations of the obtained eight-membered heterocycles.

  DOI：

  10.1023/a:1015409231657

文献信息

• GENERAL APPROACH TO THE SYNTHESIS OF SYMMETRICAL 1,3,2-DIAZAPHOSPHOCANES
  作者：Alexandra I. Zavalishina、Elena I. Orzhekovskaya、Natalja M. Selezneva、Larisa K. Vasyanina、Vitaly K. Belsky、Eduard E. Nifantyev

  DOI：10.1080/10426500008042108

  日期：2000.6.1

  Synthesis of eight-membered phosphorus-nitrogen heterocycles has been performed by phosphocyclization of the corresponding diamines using different derivatives of phosphorous acid. The structures of diazaphosphocanes were supported by elemental analysis; H-1, C-13, and P-31 NMR spectroscopy; and x-ray diffraction analysis.