N-(3-bromopropyl)-1-ethoxybicyclo[2.2.2]-oct-5-one-2,3-dicarbomixide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: N-(3-bromopropyl)-1-ethoxybicyclo[2.2.2]-oct-5-one-2,3-dicarbomixide
• 英文别名: (1R,2R,6R,7S)-4-(3-bromopropyl)-1-ethoxy-4-azatricyclo[5.2.2.02,6]undecane-3,5,8-trione
• 化学式: C₁₅H₂₀BrNO₄
• 分子量: 358.232
• InChiKey: NRPGHHRNJVAEBN-ADGXKJENSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  63.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2-嘧啶基)哌嗪 、 N-(3-bromopropyl)-1-ethoxybicyclo[2.2.2]-oct-5-one-2,3-dicarbomixide 在 potassium carbonate 、 potassium iodide 作用下， 以 乙腈 为溶剂， 反应 35.0h， 以75%的产率得到(1R,2R,6R,7S)-1-Ethoxy-4-[3-(4-pyrimidin-2-yl-piperazin-1-yl)-propyl]-4-aza-tricyclo[5.2.2.0^2,6]undecane-3,5,8-trione
  参考文献：
  名称：

  Synthesis of new N-substituted cyclic imides with an expected anxiolytic activity. XVII. Derivatives of 1-ethoxybicyclo[2.2.2]-oct-5-one-2,3-dicarboximide

  摘要：

  The preparation of a number of derivatives of 1-ethoxybicyclo[2.2.2]-oct-5-one-2,3-dicarboximide with potential anxiolytic activity has been described. The aim of our study was to obtain new analogs of tandospirone. (C) 2001 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01144-2
• 作为产物：
  描述：

  1,3-二溴丙烷 、 1-ethoxybicyclo[2.2.2]oct-5-one-2,3-dicarboximide 在 potassium carbonate 作用下， 以 丁酮 为溶剂， 反应 51.0h， 以88%的产率得到N-(3-bromopropyl)-1-ethoxybicyclo[2.2.2]-oct-5-one-2,3-dicarbomixide
  参考文献：
  名称：

  Synthesis of new N-substituted cyclic imides with an expected anxiolytic activity. XVII. Derivatives of 1-ethoxybicyclo[2.2.2]-oct-5-one-2,3-dicarboximide

  摘要：

  The preparation of a number of derivatives of 1-ethoxybicyclo[2.2.2]-oct-5-one-2,3-dicarboximide with potential anxiolytic activity has been described. The aim of our study was to obtain new analogs of tandospirone. (C) 2001 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01144-2

文献信息

• Synthesis of new N-substituted cyclic imides with an expected anxiolytic activity. XVII. Derivatives of 1-ethoxybicyclo[2.2.2]-oct-5-one-2,3-dicarboximide
  作者：Jerzy Kossakowski、Monika Jarocka

  DOI：10.1016/s0014-827x(01)01144-2

  日期：2001.9

  The preparation of a number of derivatives of 1-ethoxybicyclo[2.2.2]-oct-5-one-2,3-dicarboximide with potential anxiolytic activity has been described. The aim of our study was to obtain new analogs of tandospirone. (C) 2001 Elsevier Science S.A. All rights reserved.