<6Li>-lithium 2,2,4,6,6-pentamethylpiperidide | 137003-45-3

• 分子结构分类: 有机化合物
• 英文名称: <6Li>-lithium 2,2,4,6,6-pentamethylpiperidide
• CAS: 137003-45-3
• 化学式: C₁₀H₂₀N*Li
• 分子量: 160.275
• InChiKey: IHDABVLBNGDRRS-HCMAANCNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.35
• 重原子数：
  12.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  14.1
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  2,2,4,6,6-五甲基哌啶 在 <6Li>Ethyllithium 作用下， 以 正戊烷 为溶剂， 反应 14.0h， 生成 <6Li>-lithium 2,2,4,6,6-pentamethylpiperidide
  参考文献：
  名称：

  Mixed aggregation of lithium enolates and lithium halides with lithium 2,2,6,6-tetramethylpiperidide (LiTMP)

  摘要：

  Li-6 and N-15 NMR spectroscopic studies of [Li-6]-LiTMP and [Li-6,N-15]-LiTMP support an earlier suggestion that LiTMP exists as a dimer-monomer mixture in THF. In the presence of [Li-6]-lithium cyclohexenolate as a representative enolate, one observes mixed aggregates with 2:1, 1:1, and 2:2 LiTMP/enolate stoichiometries. Evidence of conformational isomerism is observed in the slow-exchange limit. Studies of conformationally mobile [Li-6]-lithium di-tert-butylamide and conformationally locked [Li-6]-lithium 2,2,4,6,6-pentamethylpiperidide shed further light on the spectroscopic consequences of the chair form of the piperidine ring system. The corresponding studies of LiTMP/LiBr mixtures reveal the predominance of a 1:1 mixed aggregate, a lower propensity to form 2:1 mixed aggregates than the analogous lithium enolate case, and no tendency whatsoever to form 2:2 mixed aggregates. LiTMP/LiCl mixtures appear to contain two conformational isomers of the 2:1 stoichiometry analogous to the LiTMP enolate case as well as a 1:1 mixed aggregate in the limit of high LiCl concentration. Severe spectral overlaps and several unassigned resonances render the LiTMP-LiCl mixed aggregate structure assignments the most tentative.

  DOI：

  10.1021/ja00025a024