2,6-Bis-(3,5-di-tert-butyl-4-trimethylsilanyloxy-phenyl)-cyclopenta[2,1-b;3,4-b']dithiophen-4-one | 216756-79-5

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 2,6-Bis-(3,5-di-tert-butyl-4-trimethylsilanyloxy-phenyl)-cyclopenta[2,1-b;3,4-b']dithiophen-4-one
• 英文别名: 4,10-bis(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-one
• CAS: 216756-79-5
• 化学式: C₄₃H₆₀O₃S₂Si₂
• 分子量: 745.251
• InChiKey: SPTPSLUNRDKEJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.97
• 重原子数：
  50.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2,6-Bis-(3,5-di-tert-butyl-4-trimethylsilanyloxy-phenyl)-cyclopenta[2,1-b;3,4-b']dithiophen-4-one 在 piperodine 、 四丁基氟化铵 、 lead dioxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 苯 为溶剂， 反应 22.53h， 生成 2-[2,6-Bis-(3,5-di-tert-butyl-4-oxo-cyclohexa-2,5-dienylidene)-2,6-dihydro-cyclopenta[2,1-b;3,4-b']dithiophen-4-ylidene]-malononitrile
  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：

  N,O-双三甲硅基乙酰胺 、 2,6-Bis-(3,5-di-tert-butyl-4-hydroxy-phenyl)-cyclopenta[2,1-b;3,4-b']dithiophen-4-one 以 乙腈 为溶剂， 反应 1.0h， 以77%的产率得到2,6-Bis-(3,5-di-tert-butyl-4-trimethylsilanyloxy-phenyl)-cyclopenta[2,1-b;3,4-b']dithiophen-4-one
  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