(S)-N-methyl-(6-methylpyridin-2-yl)-N-(pyrrolidin-2-ylmethyl)methanamine | 1393378-05-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (S)-N-methyl-(6-methylpyridin-2-yl)-N-(pyrrolidin-2-ylmethyl)methanamine
• 英文别名: N-methyl-N-[(6-methylpyridin-2-yl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
• CAS: 1393378-05-6
• 化学式: C₁₃H₂₁N₃
• 分子量: 219.33
• InChiKey: ZRMJUYQHECCNQS-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  28.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-N-methyl-(6-methylpyridin-2-yl)-N-(pyrrolidin-2-ylmethyl)methanamine 、 2-(氯甲基)-6-甲基吡啶盐酸盐 在 四丁基溴化铵 、 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 生成 (S)-N-methyl-1-(6-methylpyridin-2-yl)-N-((1-((6-methylpyridin-2-yl)methyl)pyrrolidin-2-yl)methyl)methanamine
  参考文献：
  名称：

  Non-heme manganese complexes of C1-symmetric N4 ligands: Synthesis, characterization and asymmetric epoxidations of α,β-enones

  摘要：

  A series of proline-derived C-1-symmetric chiral tetradentate N ligands and their manganese complexes have been synthesized and characterized. Their applications in enantioselective epoxidations of alpha,beta-enones were explored reaching good yields and up to 71% ee at room temperature. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.03.034
• 作为产物：
  描述：

  (S)-benzyl 2-((methyl((6-methylpyridin-2-yl)methyl)amino)methyl)pyrrolidine-1-carboxylate 在 5%-palladium/activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 50.0 ℃ 、1.01 MPa 条件下， 反应 48.0h， 生成 (S)-N-methyl-(6-methylpyridin-2-yl)-N-(pyrrolidin-2-ylmethyl)methanamine
  参考文献：
  名称：

  Non-heme manganese complexes of C1-symmetric N4 ligands: Synthesis, characterization and asymmetric epoxidations of α,β-enones

  摘要：

  A series of proline-derived C-1-symmetric chiral tetradentate N ligands and their manganese complexes have been synthesized and characterized. Their applications in enantioselective epoxidations of alpha,beta-enones were explored reaching good yields and up to 71% ee at room temperature. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.03.034