6-tert-butyl-4-(4-tert-butyl-2-methyl-3-oxocyclopenta-1,4-dienyl)-3-methyl-o-benzoquinone | 1021177-14-9

• 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: 6-tert-butyl-4-(4-tert-butyl-2-methyl-3-oxocyclopenta-1,4-dienyl)-3-methyl-o-benzoquinone
• 英文别名: 6-t-Butyl-4-(4-t-butyl-2-methyl-3-oxocyclopenta-1,4-dienyl)-3-methyl-o-ben-zoquinone；6-tert-butyl-4-(4-tert-butyl-2-methyl-3-oxocyclopenta-1,4-dien-1-yl)-3-methylcyclohexa-3,5-diene-1,2-dione
• CAS: 1021177-14-9
• 化学式: C₂₁H₂₆O₃
• 分子量: 326.436
• InChiKey: YVTJMWXZVJEOFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  51.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-tert-butyl-4-(4-tert-butyl-2-methyl-3-oxocyclopenta-1,4-dienyl)-3-methyl-o-benzoquinone 生成 3,3'-bi(2-methyl-5-tert-butylcyclopenta-2,4-dienone) 、
  参考文献：
  名称：

  Kinetics of photolytic transformations of 4,4′-Bi(3-methyl-6-tert-butyl-o-benzoquinone)

  摘要：

  The quantum yields and apparent rate constants of the photolysis of 4,4'-bi(3-methyl-6-tert-butyl-o-benzoquinone) and of accumulation of its transformation products in hydrocarbon solutions under the action of light with lambda 313 and 405 nm were determined. The probable scheme of photochemical reactions was suggested.

  DOI：

  10.1134/s1070363207120110
• 作为产物：
  描述：

  5,5'-di-tert-butyl-2,2'-dimethyl-3,3',4,4'-tetrahydrobiphenyl-3,3',4,4'-tetraone 生成 6-tert-butyl-4-(4-tert-butyl-2-methyl-3-oxocyclopenta-1,4-dienyl)-3-methyl-o-benzoquinone 、
  参考文献：
  名称：

  Kinetics of photolytic transformations of 4,4′-Bi(3-methyl-6-tert-butyl-o-benzoquinone)

  摘要：

  The quantum yields and apparent rate constants of the photolysis of 4,4'-bi(3-methyl-6-tert-butyl-o-benzoquinone) and of accumulation of its transformation products in hydrocarbon solutions under the action of light with lambda 313 and 405 nm were determined. The probable scheme of photochemical reactions was suggested.

  DOI：

  10.1134/s1070363207120110