diphenylphosphorylbenzene;4-methylbenzenesulfonamide | 21232-80-4

• 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: diphenylphosphorylbenzene;4-methylbenzenesulfonamide
• CAS: 21232-80-4；51892-22-9
• 化学式: C₇H₉NO₂S*C₁₈H₁₅OP
• 分子量: 449.51
• InChiKey: JBOYOQPHYXDBMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.97
• 重原子数：
  31.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  77.23
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  S-苄基-S-苯基-N-对甲苯磺酰硫亚胺 、 三苯基膦 在 苯甲酸 、 N-甲基苯胺 作用下， 生成 diphenylphosphorylbenzene;4-methylbenzenesulfonamide
  参考文献：
  名称：

  A 1,3-DIPOLE IN SULFILIMINE-PHOSPHINE SYSTEM (III) ACID ANHYDRIDE-, ESTER-, AND AMIDE-CONDENSATIONS BY SULFILIMINE-PHOSPHINE SYSTEM

  摘要：

  不同羧酸与烷基苯基N-对甲苯磺酰硫亚胺和三苯基膦反应生成相应的酸酐。该反应成功地扩展到了酯或酰胺的缩合反应。这些结果可以解释为硫亚胺和膦之间最初形成了1,3-偶极。

  DOI：

  10.1246/cl.1975.29

文献信息

• Solution mediated phase transformations between co-crystals
  作者：Denise M. Croker、Roger J. Davey、Åke C. Rasmuson、Colin C. Seaton

  DOI：10.1039/c2ce26801a

  日期：——

  A solution mediated transformation between two co-crystal phases has been observed for the p-toluensulfonamide–triphenylphosphine oxide co-crystal system. This system has two known co-crystals with 1 : 1 and 3 : 2 stoichiometry respectively, and the ternary phase diagram (TPD) for the system has been determined in acetonitrile previously. By manipulating the solution composition in this solvent to a region of the TPD where the 1 : 1 co-crystal is stable, the 3 : 2 co-crystal could be observed to convert to the 1 : 1 co-crystal. The corresponding transformation was true for the 1 : 1 co-crystal in a region of the TPD where the 3 : 2 co-crystal is stable; the 1 : 1 co-crystal converted to the 3 : 2 co-crystal.

  在对甲苯磺酰胺-三苯基膦氧化物共晶体系中，观察到了溶液介导的两种共晶相之间的转变。该体系有两种已知的共晶体，其配比分别为 1 ：之前已经在乙腈中测定了该体系的三元相图（TPD）。通过调节该溶剂中的溶液成分，使 1 ：1 共晶体稳定的区域，可以观察到 3 : 2 共晶体转化为 1 ：1 共晶体。在 1 : 1 共晶体稳定的 TPD 区域，可以观察到 3 : 2 共晶体转化为 1 : 1 共晶体：在 3 : 2 共晶体稳定的 TPD 区域，1 : 1 共晶体也发生了相应的转变；1 ：1 : 1 共晶体转化为 3 : 2 共晶体。
• Understanding the <i>p</i>-Toluenesulfonamide/Triphenylphosphine Oxide Crystal Chemistry: A New 1:1 Cocrystal and Ternary Phase Diagram
  作者：Denise M. Croker、Michael E. Foreman、Bridget N. Hogan、Nuala M. Maguire、Curtis J. Elcoate、Benjamin K. Hodnett、Anita R. Maguire、Åke C. Rasmuson、Simon E. Lawrence

  DOI：10.1021/cg201300e

  日期：2012.2.1

  A novel 1:1 cocrystal between p-toluenesulfonamide and triphenylphosphine oxide has been prepared and structurally characterized. This 1:1 cocrystal was observed to form during solid state grinding experiments, with subsequent formation of a known 3:2 cocrystal in the presence of excess sulfonamide. Both cocrystals are stable in the solid state. The ternary phase diagram for the two coformers was constructed in two different solvents: acetonitrile and dichloromethane. Examination of these diagrams clarified solution crystallization of both the newly discovered 1:1 cocrystal and the previously reported 3:2 cocrystal, and identified regions of stability for each cocrystal in each solvent. The choice of solvent was found to have a significant effect on the position of the solid state regions within a cocrystal system.