1-(3,4-Dimethoxy-phenyl)-2-(4-dimethylamino-phenoxy)-ethanone | 426828-88-8

• 英文名称: 1-(3,4-Dimethoxy-phenyl)-2-(4-dimethylamino-phenoxy)-ethanone
• CAS: 426828-88-8
• 化学式: C₁₈H₂₁NO₄
• 分子量: 315.369
• InChiKey: XGXWXNZTKUDRKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.03
• 重原子数：
  23.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  48.0
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  溴甲烷 、 1-(3,4-Dimethoxy-phenyl)-2-(4-dimethylamino-phenoxy)-ethanone 以 乙腈 为溶剂， 生成 [4-[2-(3,4-Dimethoxyphenyl)-2-oxoethoxy]phenyl]-trimethylazanium;bromide
  参考文献：
  名称：

  Oxyaniliniums as acetylcholinesterase inhibitors for the reversal of neuromuscular block

  摘要：

  A series of oxyanilinium-based AChE inhibitors have been synthesised and tested for the reversal of vecuronium-induced neuromuscular block. Several compounds, for example 2-hydroxy- and 2-methoxy-N,N-dimethyl-N-allylanilinium bromide (3 and 6) showed comparable reversal potencies to edrophonium and clean in vivo cardiovascular profiles. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00703-x
• 作为产物：
  描述：

  溴代-3,4-二甲氧基苯乙酮 、 4-二甲氨基苯酚 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 4.0h， 生成 1-(3,4-Dimethoxy-phenyl)-2-(4-dimethylamino-phenoxy)-ethanone
  参考文献：
  名称：

  Oxyaniliniums as acetylcholinesterase inhibitors for the reversal of neuromuscular block

  摘要：

  A series of oxyanilinium-based AChE inhibitors have been synthesised and tested for the reversal of vecuronium-induced neuromuscular block. Several compounds, for example 2-hydroxy- and 2-methoxy-N,N-dimethyl-N-allylanilinium bromide (3 and 6) showed comparable reversal potencies to edrophonium and clean in vivo cardiovascular profiles. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00703-x