perchlorofluorene-9-spirocyclohexa-2',5'-diene | 102611-22-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: perchlorofluorene-9-spirocyclohexa-2',5'-diene
• 英文别名: 1,1',2,2',3,3,3',4,4',5,5',6',7',8'-Tetradecachlorospiro[cyclohexa-1,4-diene-6,9'-fluorene]
• CAS: 102611-22-3
• 化学式: C₁₈Cl₁₄
• 分子量: 712.54
• InChiKey: ZBPNZEXDPYMPGZ-UHFFFAOYSA-N

物化性质

• 沸点：
  694.4±55.0 °C(Predicted)
• 密度：
  2.02±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  12.1
• 重原子数：
  32
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  9,10-苯并菲 在 氯磺酸 作用下， 以 氯仿 为溶剂， 生成 perchlorofluorene-9-spirocyclohexa-2',5'-diene
  参考文献：
  名称：

  Perchlorotriphenylene: a compound with severe molecular twisting?

  摘要：

  Perchlorotriphenylene has been reported several times in the literature. However, there is inconclusive evidence that this compound has actually been prepared. Severe molecular twisting to relieve steric interactions of ''ortho'' chlorines may preclude any stable existence. The compound is discussed in context with other severely twisted molecules, and methods are proposed for its synthesis.

  DOI：

  10.1021/jo00028a044

文献信息

• Discovery and crystal structure of a novel chlorocarbon host: perchlorofluorene-9-spirocyclohexa-2′,5′-diene
  作者：James H. Gall、David D. MacNicol、Paul R. Mallinson、Peter A. Welsh

  DOI：10.1016/s0040-4039(00)98710-0

  日期：1985.1

  Chlorination of triphenylene (1a) employing a mixture of aluminium trichloride and sulphur monochloride in sulphuryl chloride leads to rearrangement with formation of the title chlorocarbon (2), a new host, as main product. X-ray crystal structure analyses of the unsolvated spirocycle (2) as well as of its inclusion compounds with guests benzene and cyclohexa-1,4-diene are described.

  使用三氯化铝和一氯化硫在硫磺酰氯中的混合物氯化三亚苯基（1a）会导致重排，形成新的主体标题氯碳（2）作为主要产品。描述了未溶剂化的螺环（2）及其与客体苯和环己-1,4-二烯的包合物的X射线晶体结构分析。
• Perchlorotriphenylene: a compound with severe molecular twisting?
  作者：M. C. Campbell、R. E. Humphries、N. M. Munn

  DOI：10.1021/jo00028a044

  日期：1992.1

  Perchlorotriphenylene has been reported several times in the literature. However, there is inconclusive evidence that this compound has actually been prepared. Severe molecular twisting to relieve steric interactions of ''ortho'' chlorines may preclude any stable existence. The compound is discussed in context with other severely twisted molecules, and methods are proposed for its synthesis.