(S)-tert-butyl 3-((pyridin-2-ylmethyl)amino)pyrrolidine-1-carboxylate | 936115-77-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (S)-tert-butyl 3-((pyridin-2-ylmethyl)amino)pyrrolidine-1-carboxylate
• 英文别名: tert-butyl (3S)-3-(pyridin-2-ylmethylamino)pyrrolidine-1-carboxylate
• CAS: 936115-77-4
• 化学式: C₁₅H₂₃N₃O₂
• 分子量: 277.367
• InChiKey: ACVBAQNOTROJHO-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  54.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (S)-tert-butyl 3-((pyridin-2-ylmethyl)amino)pyrrolidine-1-carboxylate 在 potassium carbonate 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 (S)-N-(2,3-dichlorobenzyl)-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
  参考文献：
  名称：

  N-Benzyl-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amines as selective dual serotonin/noradrenaline reuptake inhibitors

  摘要：

  A series ofN-benzy]-P[-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine monoamine reuptake inhibitors are described. Selective dual 5-HT and NA reuptake inhibition was achieved, and analogues with weak CYP2136 inhibition, good human in vitro metabolic stability and wide ligand selectivity, such as 12b, were identified. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.020
• 作为产物：
  描述：

  吡啶-2-甲醛 、 (s)-(-)-N-叔丁氧羰基-3-氨基吡咯烷 在 三乙酰氧基硼氢化钠 作用下， 以 四氢呋喃 为溶剂， 生成 (S)-tert-butyl 3-((pyridin-2-ylmethyl)amino)pyrrolidine-1-carboxylate
  参考文献：
  名称：

  N-Benzyl-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amines as selective dual serotonin/noradrenaline reuptake inhibitors

  摘要：

  A series ofN-benzy]-P[-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine monoamine reuptake inhibitors are described. Selective dual 5-HT and NA reuptake inhibition was achieved, and analogues with weak CYP2136 inhibition, good human in vitro metabolic stability and wide ligand selectivity, such as 12b, were identified. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.020

文献信息

• N-Benzyl-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amines as selective dual serotonin/noradrenaline reuptake inhibitors
  作者：Paul V. Fish、M. Jonathan Fray、Alan Stobie、Florian Wakenhut、Gavin A. Whitlock

  DOI：10.1016/j.bmcl.2007.01.020

  日期：2007.4

  A series ofN-benzy]-P[-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine monoamine reuptake inhibitors are described. Selective dual 5-HT and NA reuptake inhibition was achieved, and analogues with weak CYP2136 inhibition, good human in vitro metabolic stability and wide ligand selectivity, such as 12b, were identified. (c) 2007 Elsevier Ltd. All rights reserved.