2,2,12,12-tetramethylcyclododecanone | 60010-87-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2,12,12-tetramethylcyclododecanone
• 英文别名: 2,2,12,12-Tetramethylcyclododecan-1-one
• CAS: 60010-87-9
• 化学式: C₁₆H₃₀O
• 分子量: 238.414
• InChiKey: AFBVZFZDJLSSIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  环十二酮 、 碘甲烷 生成 2,2,12,12-tetramethylcyclododecanone
  参考文献：
  名称：

  Temperature dependence of the exchange coupling in polymethylene chain biradicals: conclusions regarding the mechanism of the coupling

  摘要：

  Exchange interactions, J, in polymethylene biradicals with chain lengths ranging from 8 to 16 carbon atoms, have been measured as a function of temperature in hydrocarbon solvents by time-resolved electron paramagnetic resonance (TREPR) spectroscopy. Fitting the EPR spectra gives accurate J values (+/- 10%), and the chain-length dependence at a particular temperature can be modeled successfully only by using a linear combination of through-bond and through-solvent coupling mechanisms. Temperature-dependent coefficients for each mechanism are extracted from fits of the distance dependence. Through-bond contributions are found to dominate for the C-8 biradicals, while the through-solvent mechanism is the major contributor to J in the C-16 chains. For C-12 and C-14 biradicals, intermediate contributions of the two mechanisms are found. The conformational dependence of the mechanisms and the scope and limits of the model are discussed.

  DOI：

  10.1021/j100115a050

文献信息

• Temperature dependence of the exchange coupling in polymethylene chain biradicals: conclusions regarding the mechanism of the coupling
  作者：Malcolm D. E. Forbes、Gerhard L. Closs、Paloma Calle、Pennathur Gautam

  DOI：10.1021/j100115a050

  日期：1993.4

  Exchange interactions, J, in polymethylene biradicals with chain lengths ranging from 8 to 16 carbon atoms, have been measured as a function of temperature in hydrocarbon solvents by time-resolved electron paramagnetic resonance (TREPR) spectroscopy. Fitting the EPR spectra gives accurate J values (+/- 10%), and the chain-length dependence at a particular temperature can be modeled successfully only by using a linear combination of through-bond and through-solvent coupling mechanisms. Temperature-dependent coefficients for each mechanism are extracted from fits of the distance dependence. Through-bond contributions are found to dominate for the C-8 biradicals, while the through-solvent mechanism is the major contributor to J in the C-16 chains. For C-12 and C-14 biradicals, intermediate contributions of the two mechanisms are found. The conformational dependence of the mechanisms and the scope and limits of the model are discussed.