2,2,12-trimethylcyclododecanone | 91667-20-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2,12-trimethylcyclododecanone
• 英文别名: 2,2,12-Trimethylcyclododecanon；2,2,12-trimethylcyclododecan-1-one
• CAS: 91667-20-8
• 化学式: C₁₅H₂₈O
• 分子量: 224.387
• InChiKey: JVRROVBNCAOSBZ-UHFFFAOYSA-N

物化性质

• 沸点：
  298.2±8.0 °C(Predicted)
• 密度：
  0.837±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,2,12-trimethylcyclododecanone 在 三氯溴甲烷 作用下， 以 苯 为溶剂， 生成
  参考文献：
  名称：

  Determination of hyperfine splittings of biradical termini by combining biradical trapping and time-resolved ESR techniques

  摘要：

  ESR detection of spin-polarized short-lived biradicals has been shown to be a valuable tool in studying the mechanisms of photochemical reactions and in the investigation of the properties of biradicals. However, some important spectroscopic features of these species are not readily available because of certain peculiarities of biradical ESR spectra. This difficulty can be overcome through the conservation of spin polarization by the controlled scavenging of a biradical into a subsequent radical species whose spectroscopic features can be accurately evaluated. In particular, it is shown that the hyperfine splittings of a radical site in a biradical can be measured directly by time resolved ESR if the other site is scavenged by a selective spin trap. BrCCl3 was used as a selective scavenger of the acyl moiety of polymethylene linked acyl-alkyl and acyl-benzyl biradicals formed in the photolysis of substituted cycloalkanones in solution. Transformation of these polarized biradicals into correpsonding polarized monoradicals upon bromine abstraction by acyl site leads to much less complicated and much better resolved ESR spectra. The hyperfine splittings of the benzylic termini of several acyl-benzyl biradicals generated in this manner were evaluated and quantitatively compared with the splittings of benzyl and 1-phenylpropyl radicals formed in the photolysis of linear ketones.

  DOI：

  10.1021/j100130a021
• 作为产物：
  描述：

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

  .beta.-Epimerization and .gamma.-hydrogen abstraction via homoenolate ions

  摘要：

  DOI：

  10.1021/ja00425a031