2,6-di-tert-butyl-1,4-benzoquinone 4-p-tosylhydrazone | 94999-56-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2,6-di-tert-butyl-1,4-benzoquinone 4-p-tosylhydrazone
• 英文别名: 2,6-Di-tert-butyl-<1,4>benzochinon-4-；2,6-Di-tert-butyl-[1,4]benzochinon-4-(toluol-4-sulfohydrazon)
• CAS: 94999-56-1
• 化学式: C₂₁H₂₈N₂O₃S
• 分子量: 388.531
• InChiKey: DJMLAXXMWCXJEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.16
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  75.6
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2,6-di-tert-butyl-1,4-benzoquinone 4-p-tosylhydrazone 生成 2,6-di-tert-butyl-4-diazo-2,5-cyclohexadien-1-one
  参考文献：
  名称：

  Quinone-Type Methanofullerene Acceptors:  Precursors for Organic Metals

  摘要：

  We report details on the synthesis and electrochemistry of quinone-type methanofullerene derivatives in which, depending upon the substitution pattern on the cyclohexanedienone moiety, the reduction potential can be tuned, leading to novel fullerene derivatives exhibiting better acceptor properties than C-60. We also present the lowest energy conformers of these spiroannulated methanofullerenes. As expected, the anthrone derivative is not coplanar and is not perpendicular to the ball's surface.

  DOI：

  10.1021/jo951738f
• 作为产物：
  描述：

  2,6-二叔丁基苯醌 、 对甲苯磺酰肼 生成 2,6-di-tert-butyl-1,4-benzoquinone 4-p-tosylhydrazone
  参考文献：
  名称：

  Quinone-Type Methanofullerene Acceptors:  Precursors for Organic Metals

  摘要：

  We report details on the synthesis and electrochemistry of quinone-type methanofullerene derivatives in which, depending upon the substitution pattern on the cyclohexanedienone moiety, the reduction potential can be tuned, leading to novel fullerene derivatives exhibiting better acceptor properties than C-60. We also present the lowest energy conformers of these spiroannulated methanofullerenes. As expected, the anthrone derivative is not coplanar and is not perpendicular to the ball's surface.

  DOI：

  10.1021/jo951738f