-benzol-bromid | 57313-41-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: -benzol-bromid
• CAS: 57313-41-4
• 化学式: Br*C₁₆H₂₆NO₃
• 分子量: 360.291
• InChiKey: VTFUJEVDSBQOJR-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.65
• 重原子数：
  21.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  二甲氨基乙醛缩二乙醇 、 2-溴苯乙酮 以 环己酮 为溶剂， 生成 -benzol-bromid
  参考文献：
  名称：

  Nonclassical nicotine antagonists

  摘要：

  A series of "nonclassical" nicotine antagonists was synthesized and compared to the "classical" nicotine antagonist, hexamethonium, by means of the isolated guinea pig atria preparation. 2 was found to be the most potent, followed by hexamethonium and the other antagonists. With the exception of 5, the bisquaternary compounds 1-3 and 7-9 were found to be more potent than the monoquaternary compounds 4, 6, and 10-12. Within a series of compounds (1-6 or 7-12), those compounds possessing two phenyl rings proved to be more potent than those possessing one or three phenyl rings. These and other aspects of the structure-activity relationship of this class of compounds are discussed.

  DOI：

  10.1021/jm00245a028