7-Tert-butyl-17,18-dimethoxy-3,11-dithiatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene | 195057-50-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 7-Tert-butyl-17,18-dimethoxy-3,11-dithiatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene
• CAS: 195057-50-2；195158-63-5
• 化学式: C₂₂H₂₈O₂S₂
• 分子量: 388.595
• InChiKey: NMIIBNOYTUTICR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  69.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-Tert-butyl-17,18-dimethoxy-3,11-dithiatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene 在 2,3-二氯-5,6-二氰基-1,4-苯醌 、 亚磷酸三乙酯 作用下， 以 苯 为溶剂， 反应 26.0h， 生成
  参考文献：
  名称：

  Synthesis of Dibenzopyrenes and Pyrenes via Photolytic Sulfur Extrusion and Intramolecular Cross-Coupling Reactions of Dithia[3.3](1,3)naphthalenophanes and Dithia[3.3]metacyclophanes

  摘要：

  The syntheses of several substituted dithia[3.3]metacyclophanes and dithia[3.3](1,3)naphthalenophanes are reported and their photolyses in triethyl or trimethyl phosphite are described. Under these conditions, the corresponding tetrahydrodibenzopyrenes and tetrahydropyrenes are produced in a one-pot procedure when the precursor dithianaphthalenophanes and dithiacyclophanes possess at least one intraannular methoxyl group. A mechanism with supporting evidence is proposed to account for these results. Structural determinations of the four isomeric 11,22-dimethoxy-2,13-dithia[3.3](1,3)naphthalenophanes by NMR and X-ray single-crystal diffraction studies are also described. The syntheses of the novel anti-transoid- and anti-cisoid-[2.2](1,3)naphthalenophanes are also described.

  DOI：

  10.1021/jo970181w
• 作为产物：
  描述：

  4-叔丁基茴香醚 在 氢氧化钾 、 氢溴酸 、 硫脲 作用下， 以 乙醇 、 溶剂黄146 、 二甲基亚砜 、 苯 为溶剂， 反应 69.0h， 生成 7-Tert-butyl-17,18-dimethoxy-3,11-dithiatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene
  参考文献：
  名称：

  Synthesis of Dibenzopyrenes and Pyrenes via Photolytic Sulfur Extrusion and Intramolecular Cross-Coupling Reactions of Dithia[3.3](1,3)naphthalenophanes and Dithia[3.3]metacyclophanes

  摘要：

  The syntheses of several substituted dithia[3.3]metacyclophanes and dithia[3.3](1,3)naphthalenophanes are reported and their photolyses in triethyl or trimethyl phosphite are described. Under these conditions, the corresponding tetrahydrodibenzopyrenes and tetrahydropyrenes are produced in a one-pot procedure when the precursor dithianaphthalenophanes and dithiacyclophanes possess at least one intraannular methoxyl group. A mechanism with supporting evidence is proposed to account for these results. Structural determinations of the four isomeric 11,22-dimethoxy-2,13-dithia[3.3](1,3)naphthalenophanes by NMR and X-ray single-crystal diffraction studies are also described. The syntheses of the novel anti-transoid- and anti-cisoid-[2.2](1,3)naphthalenophanes are also described.

  DOI：

  10.1021/jo970181w

文献信息

• Homothiacalix[4]arenes: Synthetic Exploration and Solid-State Structures
  作者：Joice Thomas、Kristof Van Hecke、Koen Robeyns、Wim Van Rossom、Mahendra P. Sonawane、Luc Van Meervelt、Mario Smet、Wouter Maes、Wim Dehaen

  DOI：10.1002/chem.201101690

  日期：2011.9.5

  Homothiacalix[n]arenes have been largely underexposed compared with related (homo)heteracalixarenes, although their inherent structural features are particularly attractive for supramolecular host–guest chemistry. In this contribution, the synthetic macrocyclization protocols that afford homothiacalix[n]arenes have been reinvestigated and optimized, providing straightforward access to the parent h

  与相关的（同）杂acalixarenes相比，homothiacalix [ n ]芳烃在很大程度上暴露不足，尽管它们的固有结构特征对于超分子宿主-客体化学特别有吸引力。在此贡献中，对提供了高硫杂杯[ n ]芳烃的合成大环化方案进行了重新研究和优化，从而可以直接访问母体高硫杂杯[4]芳烃骨架。此外，还成功进行了内缘（双和四）酯官能化和二亚甲基桥氧化反应。溶液相（可变温度）NMR光谱研究和固态X射线结构提供了有关新型大环化合物构象特征的补充信息。
• Yamato, Takehiko; Shigekuni, Mitsuaki; Kunugida, Hidetsugu, Journal of Chemical Research, Miniprint, 1997, # 6, p. 1323 - 1343
  作者：Yamato, Takehiko、Shigekuni, Mitsuaki、Kunugida, Hidetsugu、Nagano, Yoshiaki

  DOI：——

  日期：——
• Synthesis of Dibenzopyrenes and Pyrenes via Photolytic Sulfur Extrusion and Intramolecular Cross-Coupling Reactions of Dithia[3.3](1,3)naphthalenophanes and Dithia[3.3]metacyclophanes
  作者：Muhammad Ashram、David O. Miller、John N. Bridson、Paris E. Georghiou

  DOI：10.1021/jo970181w

  日期：1997.9.1

  The syntheses of several substituted dithia[3.3]metacyclophanes and dithia[3.3](1,3)naphthalenophanes are reported and their photolyses in triethyl or trimethyl phosphite are described. Under these conditions, the corresponding tetrahydrodibenzopyrenes and tetrahydropyrenes are produced in a one-pot procedure when the precursor dithianaphthalenophanes and dithiacyclophanes possess at least one intraannular methoxyl group. A mechanism with supporting evidence is proposed to account for these results. Structural determinations of the four isomeric 11,22-dimethoxy-2,13-dithia[3.3](1,3)naphthalenophanes by NMR and X-ray single-crystal diffraction studies are also described. The syntheses of the novel anti-transoid- and anti-cisoid-[2.2](1,3)naphthalenophanes are also described.