lithium;(2S)-1-[[6-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]pyridin-2-yl]methyl]pyrrolidine-2-carboxylate | 1422682-93-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: lithium;(2S)-1-[[6-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]pyridin-2-yl]methyl]pyrrolidine-2-carboxylate
• CAS: 1422682-93-6
• 化学式: C₁₈H₂₄N₃O₄*Li
• 分子量: 353.347
• InChiKey: CXVLDACJWHHATK-MOGJOVFKSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.06
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  85.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2,6-双(溴甲基)吡啶 在 N,N-二异丙基乙胺 作用下， 以 甲醇 、 水 为溶剂， 反应 19.0h， 生成 、 lithium;(2S)-1-[[6-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]pyridin-2-yl]methyl]pyrrolidine-2-carboxylate
  参考文献：
  名称：

  l-Proline derived mimics of the non-haem iron active site catalyse allylic oxidation in acetonitrile solutions

  摘要：

  Non-haem iron complexes are important reagents for the oxidative functionalisation of C-H bonds. Peptidomimetic ligands derived from L-proline, pyridine-2,6-dimethanol and pyridine-2,6-dicarboxylic acid have been combined with iron(II) triflate and hydrogen peroxide in acetonitrile. The resulting complexes convert cyclohexene into the allylic oxidation products, 2-cyclohexen-1-ol, 2-cyclohexen-1-one and 2-cyclohexenyl hydroperoxide in high turnover yields. A mechanism for product formation is proposed, in which the hydroperoxy radical (HOO center dot) is the active oxidant. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.12.095
• 作为试剂：
  描述：

  环己烯 在 iron(II) triflate 、 lithium;(2S)-1-[[6-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]pyridin-2-yl]methyl]pyrrolidine-2-carboxylate 、 双氧水 作用下， 以 水 、 乙腈 为溶剂， 反应 16.5h， 以33%的产率得到2-环己烯醇
  参考文献：
  名称：

  l-Proline derived mimics of the non-haem iron active site catalyse allylic oxidation in acetonitrile solutions

  摘要：

  Non-haem iron complexes are important reagents for the oxidative functionalisation of C-H bonds. Peptidomimetic ligands derived from L-proline, pyridine-2,6-dimethanol and pyridine-2,6-dicarboxylic acid have been combined with iron(II) triflate and hydrogen peroxide in acetonitrile. The resulting complexes convert cyclohexene into the allylic oxidation products, 2-cyclohexen-1-ol, 2-cyclohexen-1-one and 2-cyclohexenyl hydroperoxide in high turnover yields. A mechanism for product formation is proposed, in which the hydroperoxy radical (HOO center dot) is the active oxidant. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.12.095