1',3'-Bis(trimethylsilyl)spiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydroazulene]-2'-one | 1447964-45-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1',3'-Bis(trimethylsilyl)spiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydroazulene]-2'-one
• CAS: 1447964-45-5
• 化学式: C₁₈H₃₀O₃Si₂
• 分子量: 350.605
• InChiKey: VXKZGMVEVNSKOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.23
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1',3'-Bis(trimethylsilyl)spiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydroazulene]-2'-one 在 palladium on activated charcoal 、 氢气 作用下， 以12%的产率得到
  参考文献：
  名称：

  Zirconium-Induced Cyclizations of Long-Chain α,ω-Diyne Derivatives - The Surprising One-Pot Formation of Dimeric Structures

  摘要：

  Dimeric products were produced besides the monomeric (and expected) cyclization product, on subjecting diacetylenes to the conditions developed by Negishi (ZrCp2 from ZrCp2Cl2 and BuLi). The structures of the dimeric products were established by spectroscopic data and single-crystal X-ray structural analysis. The mechanisms leading to their formation are discussed.

  DOI：

  10.1055/s-0032-1316901
• 作为产物：
  描述：

  在 carbon monoxide 作用下， 以30%的产率得到1',3'-Bis(trimethylsilyl)spiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydroazulene]-2'-one
  参考文献：
  名称：

  Zirconium-Induced Cyclizations of Long-Chain α,ω-Diyne Derivatives - The Surprising One-Pot Formation of Dimeric Structures

  摘要：

  Dimeric products were produced besides the monomeric (and expected) cyclization product, on subjecting diacetylenes to the conditions developed by Negishi (ZrCp2 from ZrCp2Cl2 and BuLi). The structures of the dimeric products were established by spectroscopic data and single-crystal X-ray structural analysis. The mechanisms leading to their formation are discussed.

  DOI：

  10.1055/s-0032-1316901