2-(2.4-dibromo-5-methoxyphenyl)ethanamine | 121135-06-6

• 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: 2-(2.4-dibromo-5-methoxyphenyl)ethanamine
• 英文别名: 2-(2,4-Dibromo-5-methoxyphenyl)ethanamine
• CAS: 121135-06-6
• 化学式: C₉H₁₁Br₂NO
• 分子量: 309.0
• InChiKey: UTGHEZKXSODWPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(2.4-dibromo-5-methoxyphenyl)ethanamine 、 3-氯-1-丙醇 在 sodium hydroxide 作用下， 以 氯仿 、 水 为溶剂， 反应 0.17h， 以70%的产率得到3-((2,4-dibromo-5-methoxyphenethyl)amino)propan-1-ol
  参考文献：
  名称：

  N1,N1-Dimethyl-N3-(3-(trifluoromethyl)phenethyl)propane-1,3-diamine, a new lead for the treatment of human African trypanosomiasis

  摘要：

  The natural product, convolutamine I (1), has anti-trypanosomal activity however it has a high molecular weight of 473 due to a presence of 3 bromine atoms. The synthesis of the natural product convolutamine I (1) together with its analogues are presented. A SAR study against Trypanosoma brucei brucei led to compounds with improved physico-chemical properties: lower molecular weight and lower log P while maintaining potency (with a slight 2-fold improvement). (C) 2014 The Authors. Published by Elsevier Masson SAS. All rights

  DOI：

  10.1016/j.ejmech.2013.12.050
• 作为产物：
  描述：

  3-甲氧基苯乙胺 在 溴 、 溶剂黄146 作用下， 生成 2-(2.4-dibromo-5-methoxyphenyl)ethanamine 、
  参考文献：
  名称：

  N1,N1-Dimethyl-N3-(3-(trifluoromethyl)phenethyl)propane-1,3-diamine, a new lead for the treatment of human African trypanosomiasis

  摘要：

  The natural product, convolutamine I (1), has anti-trypanosomal activity however it has a high molecular weight of 473 due to a presence of 3 bromine atoms. The synthesis of the natural product convolutamine I (1) together with its analogues are presented. A SAR study against Trypanosoma brucei brucei led to compounds with improved physico-chemical properties: lower molecular weight and lower log P while maintaining potency (with a slight 2-fold improvement). (C) 2014 The Authors. Published by Elsevier Masson SAS. All rights

  DOI：

  10.1016/j.ejmech.2013.12.050