1-(3,4-ethylenedioxy-5-bromophenyl)-2-nitropropene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: 1-(3,4-ethylenedioxy-5-bromophenyl)-2-nitropropene
• 英文别名: 5-bromo-7-[(E)-2-nitroprop-1-enyl]-2,3-dihydro-1,4-benzodioxine
• 化学式: C₁₁H₁₀BrNO₄
• 分子量: 300.109
• InChiKey: BITSWXURJUQEAK-QPJJXVBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  64.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(3,4-ethylenedioxy-5-bromophenyl)-2-nitropropene 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 5.0h， 生成 1-(3,4-ethylenedioxy-5-bromophenyl)-2-aminopropane
  参考文献：
  名称：

  Heteroarylisopropylamines as MAO inhibitors

  摘要：

  The in vitro monoamine oxidase inhibitory (MAOI) activities of 11 heteroarylisopropylamines vis-a-vis MAO-A and MAO-B were described and interpreted in terms of possible interactions with the enzyme active site. Molecular dynamics simulations allowed a comparison between the most active MAO-A inhibitor of the series, the 1-(2-benzofuryl)-2-aminopropane, and the specific, analogous MAO-A substrate serotonin. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.04.045
• 作为产物：
  描述：

  5-溴香兰素 在 吡啶 、 三氯化铝 、 sodium carbonate 、 溶剂黄146 、 正丁胺 、 copper(II) oxide 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 30.0h， 生成 1-(3,4-ethylenedioxy-5-bromophenyl)-2-nitropropene
  参考文献：
  名称：

  Heteroarylisopropylamines as MAO inhibitors

  摘要：

  The in vitro monoamine oxidase inhibitory (MAOI) activities of 11 heteroarylisopropylamines vis-a-vis MAO-A and MAO-B were described and interpreted in terms of possible interactions with the enzyme active site. Molecular dynamics simulations allowed a comparison between the most active MAO-A inhibitor of the series, the 1-(2-benzofuryl)-2-aminopropane, and the specific, analogous MAO-A substrate serotonin. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.04.045

文献信息

• Heteroarylisopropylamines as MAO inhibitors
  作者：Gabriel Vallejos、Angélica Fierro、Marcos Caroli Rezende、Silvia Sepúlveda-Boza、Miguel Reyes-Parada

  DOI：10.1016/j.bmc.2005.04.045

  日期：2005.7

  The in vitro monoamine oxidase inhibitory (MAOI) activities of 11 heteroarylisopropylamines vis-a-vis MAO-A and MAO-B were described and interpreted in terms of possible interactions with the enzyme active site. Molecular dynamics simulations allowed a comparison between the most active MAO-A inhibitor of the series, the 1-(2-benzofuryl)-2-aminopropane, and the specific, analogous MAO-A substrate serotonin. (c) 2005 Elsevier Ltd. All rights reserved.