N',N'''-(1,4(1,4)-dibenzenacyclohexaphane-12,42-diylbis(methaneylylidene))bis(4-methylbenzenesulfonohydrazide) | 1086539-57-2

• 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: N',N'''-(1,4(1,4)-dibenzenacyclohexaphane-12,42-diylbis(methaneylylidene))bis(4-methylbenzenesulfonohydrazide)
• CAS: 1086539-57-2
• 化学式: C₃₂H₃₂N₄O₄S₂
• 分子量: 600.762
• InChiKey: XJLCGWZXKSREDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.81
• 重原子数：
  42.0
• 可旋转键数：
  8.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  117.06
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N',N'''-(1,4(1,4)-dibenzenacyclohexaphane-12,42-diylbis(methaneylylidene))bis(4-methylbenzenesulfonohydrazide) 在 sodium methylate 作用下， 以 二乙二醇二甲醚 为溶剂， 反应 3.0h， 以73%的产率得到[2.2.2](1,2,4)cyclophan-9-ene
  参考文献：
  名称：

  The `cyclophene' [2.2.2](1,2,4)cyclophan-9-ene

  摘要：

  In the title compound, C18H16, the [2.2]paracyclophane geometry is restrained to a considerable extent despite the introduction of the extra C = C bridge; typical paracyclophane features, such as the elongated C-C bridges, are still observed. However, the bridgehead atoms of the C C bridge are forced into unusually close proximity [2.657 (3) angstrom], which in turn causes the rings to be rotated to an interplanar angle of 13.7 (2)degrees. The packing involves hexagonally close-packed layers of molecules parallel to the xy plane, corresponding to the known '7,11' pattern of paracyclophanes, but without significant short intermolecular contacts.

  DOI：

  10.1107/s0108270107050937
• 作为产物：
  描述：

  4,15-diformyl[2.2]paracyclophane 、 对甲苯磺酰肼 在 对甲苯磺酸 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以92%的产率得到N',N'''-(1,4(1,4)-dibenzenacyclohexaphane-12,42-diylbis(methaneylylidene))bis(4-methylbenzenesulfonohydrazide)
  参考文献：
  名称：

  The `cyclophene' [2.2.2](1,2,4)cyclophan-9-ene

  摘要：

  In the title compound, C18H16, the [2.2]paracyclophane geometry is restrained to a considerable extent despite the introduction of the extra C = C bridge; typical paracyclophane features, such as the elongated C-C bridges, are still observed. However, the bridgehead atoms of the C C bridge are forced into unusually close proximity [2.657 (3) angstrom], which in turn causes the rings to be rotated to an interplanar angle of 13.7 (2)degrees. The packing involves hexagonally close-packed layers of molecules parallel to the xy plane, corresponding to the known '7,11' pattern of paracyclophanes, but without significant short intermolecular contacts.

  DOI：

  10.1107/s0108270107050937