3,3,6,6,10,10,13,13-octamethylcyclotetradecane-1,8-dione | 31067-26-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,3,6,6,10,10,13,13-octamethylcyclotetradecane-1,8-dione
• 英文别名: 3,3,6,6,10,10,13,13-Octamethylcyclotetradecandion-1,8
• CAS: 31067-26-2
• 化学式: C₂₂H₄₀O₂
• 分子量: 336.558
• InChiKey: RSXFCDAAKDSZGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,3,6,6,10,10,13,13-octamethylcyclotetradecane-1,8-dione 在 溴 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 以46%的产率得到3,3,6,6,10,10,13,13-octamethyl-2,7,9,14-tetrabromocyclotetradecane-1,8-dione
  参考文献：
  名称：

  Sterically Stabilized Cyclopropenonophanes and an Electronically Stabilized Cyclopropenethionophane:  Syntheses, Structural Properties, and Reactivity

  摘要：

  The syntheses of sterically stabilized cyclopropenonophanes as well as an electronically stabilized cyclopropenethionophane are reported, and their molecular structures in the solid state are elucidated. The sulfur of the CS moiety in cyclopropenethiones was shown to react as a nucleophile. Temperatures of more than 240 degreesC favor the extrusion of CO in the cyclopropenonophane to afford an alpha,alpha'-tetramethyl-substituted cyclodiyne.

  DOI：

  10.1021/ol047317e
• 作为产物：
  描述：

  3,3,6,6-tetramethylsuberinic acid 在 磺酰氯 、 三乙胺 作用下， 以 乙醚 为溶剂， 反应 54.0h， 生成 3,3,6,6,10,10,13,13-octamethylcyclotetradecane-1,8-dione
  参考文献：
  名称：

  Sterically Stabilized Cyclopropenonophanes and an Electronically Stabilized Cyclopropenethionophane:  Syntheses, Structural Properties, and Reactivity

  摘要：

  The syntheses of sterically stabilized cyclopropenonophanes as well as an electronically stabilized cyclopropenethionophane are reported, and their molecular structures in the solid state are elucidated. The sulfur of the CS moiety in cyclopropenethiones was shown to react as a nucleophile. Temperatures of more than 240 degreesC favor the extrusion of CO in the cyclopropenonophane to afford an alpha,alpha'-tetramethyl-substituted cyclodiyne.

  DOI：

  10.1021/ol047317e

文献信息

• Borgen,G.; Dale,J., Acta Chemica Scandinavica (1947), 1972, vol. 26, p. 952 - 960
  作者：Borgen,G.、Dale,J.

  DOI：——

  日期：——
• Sterically Stabilized Cyclopropenonophanes and an Electronically Stabilized Cyclopropenethionophane:  Syntheses, Structural Properties, and Reactivity
  作者：Daniel B. Werz、Andreea Schuster、Rolf Gleiter、Frank Rominger

  DOI：10.1021/ol047317e

  日期：2005.3.1

  The syntheses of sterically stabilized cyclopropenonophanes as well as an electronically stabilized cyclopropenethionophane are reported, and their molecular structures in the solid state are elucidated. The sulfur of the CS moiety in cyclopropenethiones was shown to react as a nucleophile. Temperatures of more than 240 degreesC favor the extrusion of CO in the cyclopropenonophane to afford an alpha,alpha'-tetramethyl-substituted cyclodiyne.