1-<3-Bromo-4-(dimethylamino)benzyl>piperazine | 118630-31-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-<3-Bromo-4-(dimethylamino)benzyl>piperazine
• 英文别名: 2-Bromo-N,N-dimethyl-4-(1-piperazinylmethyl)benzenamine；2-bromo-N,N-dimethyl-4-(piperazin-1-ylmethyl)aniline
• CAS: 118630-31-2
• 化学式: C₁₃H₂₀BrN₃
• 分子量: 298.226
• InChiKey: YEWPDTJGYQWHBW-UHFFFAOYSA-N

物化性质

• 沸点：
  385.8±42.0 °C(Predicted)
• 密度：
  1.319±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  18.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-<3-Bromo-4-(dimethylamino)benzyl>piperazine 在 一水合肼 作用下， 以 乙腈 为溶剂， 反应 2.0h， 生成 5-[4-(3-Bromo-4-dimethylamino-benzyl)-piperazin-1-yl]-4H-[1,2,4]triazol-3-ylamine
  参考文献：
  名称：

  5-(1-Piperazinyl)-1H-1,2,4-triazol-3-amines as antihypertensive agents

  摘要：

  A series of 5-(1-piperazinyl)-1H-1,2,4-triazol-3-amines was synthesized and screened for antihypertensive and diuretic activity in spontaneously hypertensive rats (SHR). One compound, 5-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-1H-1,2,4-triazol-3-am ine (8), was selected to define the mechanism of its antihypertensive activity. Studies in SHR suggest ganglionic blocking activity. Short-lived antihypertensive activity was observed in conscious renal hypertensive dogs.

  DOI：

  10.1021/jm00123a013
• 作为产物：
  描述：

  3-溴-4-(二甲基氨基)苯甲醛 在 sodium hydroxide 、 甲酸 作用下， 反应 25.0h， 生成 1-<3-Bromo-4-(dimethylamino)benzyl>piperazine
  参考文献：
  名称：

  5-(1-Piperazinyl)-1H-1,2,4-triazol-3-amines as antihypertensive agents

  摘要：

  A series of 5-(1-piperazinyl)-1H-1,2,4-triazol-3-amines was synthesized and screened for antihypertensive and diuretic activity in spontaneously hypertensive rats (SHR). One compound, 5-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-1H-1,2,4-triazol-3-am ine (8), was selected to define the mechanism of its antihypertensive activity. Studies in SHR suggest ganglionic blocking activity. Short-lived antihypertensive activity was observed in conscious renal hypertensive dogs.

  DOI：

  10.1021/jm00123a013

文献信息

• MEYER, WALTER E.;TOMCUFCIK, ANDREW S.;CHAN, PETER S.;HAUG, MARGIE, J. MED. CHEM., 32,(1989) N, C. 593-597
  作者：MEYER, WALTER E.、TOMCUFCIK, ANDREW S.、CHAN, PETER S.、HAUG, MARGIE

  DOI：——

  日期：——