3-[14-(3,6-Dioxo-2,5-bis{[2-(trimethylsilyl)ethoxy]methoxy}-1,4-cyclohexadien-1-yl)tetradecyl]-5-methyl-2-{[2-(trimethylsilyl)ethoxy]methoxy}benzo-1,4-quinone | 1068572-38-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-[14-(3,6-Dioxo-2,5-bis{[2-(trimethylsilyl)ethoxy]methoxy}-1,4-cyclohexadien-1-yl)tetradecyl]-5-methyl-2-{[2-(trimethylsilyl)ethoxy]methoxy}benzo-1,4-quinone
• CAS: 1068572-38-2
• 化学式: C₄₅H₇₈O₁₀Si₃
• 分子量: 863.365
• InChiKey: ZDEQGPBFEGNCCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.08
• 重原子数：
  58.0
• 可旋转键数：
  33.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  123.66
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  3-[14-(3,6-Dioxo-2,5-bis{[2-(trimethylsilyl)ethoxy]methoxy}-1,4-cyclohexadien-1-yl)tetradecyl]-5-methyl-2-{[2-(trimethylsilyl)ethoxy]methoxy}benzo-1,4-quinone 在 六氟合硅酸 作用下， 以 乙腈 为溶剂， 以81%的产率得到lanciaquinone
  参考文献：
  名称：

  Synthesis of the Reported Structure of the Bisbenzoquinone Lanciaquinone, Isolated from Maesa lanceolata

  摘要：

  Lanciaquinone, isolated from Maesa lanceolata, was originally assigned as a bisbenzoquinone with a C-14-chain linking the two quinone rings. A synthesis of the reported structure, in which the key step is a double Claisen rearrangement, suggests that the structure of the natural product needs to be revised.

  DOI：

  10.1021/ol801697g
• 作为产物：
  描述：

  3-((2-(trimethylsilyl)ethoxy)methoxy)-2-(14-(3,6-bis((2-trimethylsilyl)ethoxymethoxy)-2-hydroxyphenyl)tetradecyl)-6-methylphenol 在 [N,N'-bis(salicylidene)ethane-1,2-diaminato]cobalt(II) 、 氧气 作用下， 以 乙腈 为溶剂， 反应 18.75h， 以63%的产率得到3-[14-(3,6-Dioxo-2,5-bis{[2-(trimethylsilyl)ethoxy]methoxy}-1,4-cyclohexadien-1-yl)tetradecyl]-5-methyl-2-{[2-(trimethylsilyl)ethoxy]methoxy}benzo-1,4-quinone
  参考文献：
  名称：

  Synthesis of the Reported Structure of the Bisbenzoquinone Lanciaquinone, Isolated from Maesa lanceolata

  摘要：

  Lanciaquinone, isolated from Maesa lanceolata, was originally assigned as a bisbenzoquinone with a C-14-chain linking the two quinone rings. A synthesis of the reported structure, in which the key step is a double Claisen rearrangement, suggests that the structure of the natural product needs to be revised.

  DOI：

  10.1021/ol801697g