2-thio-2-ethoxy-1,3-diisopropyl-4,5:7,8-dibenzo-11,11'-dimethyl-1,3,2-diazaphosphocane | 288393-27-1

• 分子结构分类: 有机化合物
• 英文名称: 2-thio-2-ethoxy-1,3-diisopropyl-4,5:7,8-dibenzo-11,11'-dimethyl-1,3,2-diazaphosphocane
• 英文别名: 2-ethoxy-1,3-diisopropyl-4,5;7,8-dibenzo-11,11'-dimethyl-1,3,2-diazaphosphocane 2-sulfide；11-ethoxy-3,7-dimethyl-10,12-di(propan-2-yl)-11-sulfanylidene-5H-benzo[d][1,3,2]benzodiazaphosphocine
• CAS: 288393-27-1
• 化学式: C₂₃H₃₃N₂OPS
• 分子量: 416.568
• InChiKey: XPWCOUNRGJJRRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  15.71
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-thio-2-ethoxy-1,3-diisopropyl-4,5:7,8-dibenzo-11,11'-dimethyl-1,3,2-diazaphosphocane 、 碘甲烷 以 苯 为溶剂， 反应 8.0h， 以89%的产率得到2-methylthio-1,3-diisopropyl-4,5;7,8-dibenzo-11,11'-dimethyl-1,3,2-diazaphosphocane 2-oxide
  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-ethoxy-1,3-diisopropyl-4,5;7,8-dibenzo-11,11'-dimethyl-1,3,2-diazaphosphocane 在 sulfur 作用下， 以 苯 为溶剂， 反应 2.0h， 生成 2-thio-2-ethoxy-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

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.