[2,6-Ditert-butyl-4-[10'-(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)spiro[1,3-dioxolane-2,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4'-yl]phenoxy]-trimethylsilane | 204929-36-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: [2,6-Ditert-butyl-4-[10'-(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)spiro[1,3-dioxolane-2,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4'-yl]phenoxy]-trimethylsilane
• CAS: 204929-36-2
• 化学式: C₄₅H₆₄O₄S₂Si₂
• 分子量: 789.304
• InChiKey: GGDWLSIGAADJJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.99
• 重原子数：
  53
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  93.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [2,6-Ditert-butyl-4-[10'-(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)spiro[1,3-dioxolane-2,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4'-yl]phenoxy]-trimethylsilane 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 0.03h， 生成 2,6-ditert-butyl-4-[10'-(3,5-ditert-butyl-4-hydroxyphenyl)spiro[1,3-dioxolane-2,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4'-yl]phenol
  参考文献：
  名称：

  The First Heterotriquinone and Dicyanoheterotriquinone Methide That Undergo a Five-Stage Amphoteric Redox Reaction

  摘要：

  The dicyanomethylene group and not the quinone oxygen atoms is the site of the first one-electron reduction for the dicyanohetereotriquinone methide 1, although the dicyanomethylene group is substituted at a cyclopentadienyl-like five-membered ring! Compound 1 is amphoteric and undergoes a five-stage sequence of one-electron redox reactions.

  DOI：

  10.1002/(sici)1521-3773(19981002)37:18<2484::aid-anie2484>3.0.co;2-b
• 作为产物：
  描述：

  2,6-di-tert-butyl-4-iodo-1-<(trimethylsilyl)oxy>benzene 生成 [2,6-Ditert-butyl-4-[10'-(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)spiro[1,3-dioxolane-2,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4'-yl]phenoxy]-trimethylsilane
  参考文献：
  名称：

  The First Heterotriquinone and Dicyanoheterotriquinone Methide That Undergo a Five-Stage Amphoteric Redox Reaction

  摘要：

  The dicyanomethylene group and not the quinone oxygen atoms is the site of the first one-electron reduction for the dicyanohetereotriquinone methide 1, although the dicyanomethylene group is substituted at a cyclopentadienyl-like five-membered ring! Compound 1 is amphoteric and undergoes a five-stage sequence of one-electron redox reactions.

  DOI：

  10.1002/(sici)1521-3773(19981002)37:18<2484::aid-anie2484>3.0.co;2-b