N-allyl-N,N-dimethyl-o-anisidinium bromide | 80573-82-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-allyl-N,N-dimethyl-o-anisidinium bromide
• 英文别名: (2-Methoxyphenyl)-dimethyl-prop-2-enylazanium;bromide
• CAS: 80573-82-6
• 化学式: Br*C₁₂H₁₈NO
• 分子量: 272.185
• InChiKey: XILMHLLIGSZBJJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.55
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-allyl-N,N-dimethyl-o-anisidinium bromide 在 碳酸氢钠 作用下， 以 水 、 甘油 为溶剂， 以1%的产率得到3-allyl-2-dimethylaminoanisole
  参考文献：
  名称：

  Katayama, Hajime; Takatsu, Noriyuki, Chemical and pharmaceutical bulletin, 1981, vol. 29, # 9, p. 2465 - 2477

  摘要：

  DOI：
• 作为产物：
  描述：

  邻苯二甲醚 以 四氢呋喃 、 丙酮 为溶剂， 生成 N-allyl-N,N-dimethyl-o-anisidinium 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

文献信息

• Katayama, Hajime; Takatsu, Noriyuki, Chemical and pharmaceutical bulletin, 1981, vol. 29, # 9, p. 2465 - 2477
  作者：Katayama, Hajime、Takatsu, Noriyuki

  DOI：——

  日期：——
• Oxyaniliniums as acetylcholinesterase inhibitors for the reversal of neuromuscular block
  作者：Simon J.A. Grove、Jasmit Kaur、Alan W. Muir、Eleanor Pow、Gary J. Tarver、Ming-Qiang Zhang

  DOI：10.1016/s0960-894x(01)00703-x

  日期：2002.1

  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.