30,36,42-Triphenyl-46,50,54,58-tetra(undecyl)-2,25,29,31,35,37,41,43-octaoxa-30lambda5,36lambda5,42lambda5-triphosphatridecacyclo[42.15.1.145,59.04,13.07,12.014,23.015,20.026,57.028,55.032,53.034,51.038,49.040,47]henhexaconta-1(60),4(13),5,7,9,11,14(23),15,17,19,21,26,28(55),32,34(51),38(49),39,44,47,52,56,59(61)-docosaene 30,36,42-trioxide | 1316857-35-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 30,36,42-Triphenyl-46,50,54,58-tetra(undecyl)-2,25,29,31,35,37,41,43-octaoxa-30lambda5,36lambda5,42lambda5-triphosphatridecacyclo[42.15.1.145,59.04,13.07,12.014,23.015,20.026,57.028,55.032,53.034,51.038,49.040,47]henhexaconta-1(60),4(13),5,7,9,11,14(23),15,17,19,21,26,28(55),32,34(51),38(49),39,44,47,52,56,59(61)-docosaene 30,36,42-trioxide
• 英文别名: 30,36,42-triphenyl-46,50,54,58-tetra(undecyl)-2,25,29,31,35,37,41,43-octaoxa-30λ5,36λ5,42λ5-triphosphatridecacyclo[42.15.1.145,59.04,13.07,12.014,23.015,20.026,57.028,55.032,53.034,51.038,49.040,47]henhexaconta-1(60),4(13),5,7,9,11,14(23),15,17,19,21,26,28(55),32,34(51),38(49),39,44,47,52,56,59(61)-docosaene 30,36,42-trioxide
• CAS: 1316857-35-8
• 化学式: C₁₁₂H₁₃₅O₁₁P₃
• 分子量: 1750.22
• InChiKey: VGMJFOOYZZOWSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  38.2
• 重原子数：
  126
• 可旋转键数：
  43
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  125
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  30,36,42-Triphenyl-30,36,42-tris(sulfanylidene)-46,50,54,58-tetra(undecyl)-2,25,29,31,35,37,41,43-octaoxa-30lambda5,36lambda5,42lambda5-triphosphatridecacyclo[42.15.1.145,59.04,13.07,12.014,23.015,20.026,57.028,55.032,53.034,51.038,49.040,47]henhexaconta-1(60),4(13),5,7,9,11,14(23),15,17,19,21,26,28(55),32,34(51),38(49),39,44,47,52,56,59(61)-docosaene 在 间氯过氧苯甲酸 作用下， 以 氯仿 为溶剂， 反应 2.0h， 生成 30,36,42-Triphenyl-46,50,54,58-tetra(undecyl)-2,25,29,31,35,37,41,43-octaoxa-30lambda5,36lambda5,42lambda5-triphosphatridecacyclo[42.15.1.145,59.04,13.07,12.014,23.015,20.026,57.028,55.032,53.034,51.038,49.040,47]henhexaconta-1(60),4(13),5,7,9,11,14(23),15,17,19,21,26,28(55),32,34(51),38(49),39,44,47,52,56,59(61)-docosaene 30,36,42-trioxide
  参考文献：
  名称：

  固有地，手性磷酸萘基空分子作为天然铵的人工化学和对映选择性受体†

  摘要：

  合成了在其宽边缘具有各种桥联部分的固有手性磷酸萘基空分子。用cavitand 8通过手性HPLC进行光学拆分，得到对映纯化合物（+）- 8和（-）- 8。主体8和12的分子结构通过X射线衍射确定。通过1 H和31 P NMR光谱研究主体性质。磷酸萘基空分子与手性铵神经递质形成包合物，其中一些对右手或左手宿主对映体呈现对映选择性。

  DOI：

  10.1039/c1ob05194f

文献信息

• Inherently chiral phosphonatocavitands as artificial chemo- and enantio-selective receptors of natural ammoniums
  作者：Jérôme Vachon、Steven Harthong、Erwann Jeanneau、Christophe Aronica、Nicolas Vanthuyne、Christian Roussel、Jean-Pierre Dutasta

  DOI：10.1039/c1ob05194f

  日期：——

  Inherently chiral phosphonatocavitands with various bridging moieties at their wide rim were synthesized. Optical resolution by chiral HPLC was performed with cavitand 8 to afford enantiopure compounds (+)-8 and (−)-8. The molecular structures of hosts 8 and 12 were determined by X-ray diffraction. The host properties were investigated by 1H and 31P NMR spectroscopy. The phosphonatocavitands form inclusion

  合成了在其宽边缘具有各种桥联部分的固有手性磷酸萘基空分子。用cavitand 8通过手性HPLC进行光学拆分，得到对映纯化合物（+）- 8和（-）- 8。主体8和12的分子结构通过X射线衍射确定。通过1 H和31 P NMR光谱研究主体性质。磷酸萘基空分子与手性铵神经递质形成包合物，其中一些对右手或左手宿主对映体呈现对映选择性。