N¹,N¹-dimethyl-N³-(2-(naphthalen-2-yl)ethyl)propane-1,3-diamine | 1580465-92-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N¹,N¹-dimethyl-N³-(2-(naphthalen-2-yl)ethyl)propane-1,3-diamine
• 英文别名: N',N'-dimethyl-N-(2-naphthalen-2-ylethyl)propane-1,3-diamine
• CAS: 1580465-92-4
• 化学式: C₁₇H₂₄N₂
• 分子量: 256.391
• InChiKey: BWFWSUXSCPDQFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-萘-2-乙胺 、 N,N-二甲基-3-氯丙胺 在 sodium hydroxide 作用下， 以 氯仿 、 水 为溶剂， 反应 0.17h， 以70%的产率得到N¹,N¹-dimethyl-N³-(2-(naphthalen-2-yl)ethyl)propane-1,3-diamine
  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

文献信息

• N1,N1-Dimethyl-N3-(3-(trifluoromethyl)phenethyl)propane-1,3-diamine, a new lead for the treatment of human African trypanosomiasis
  作者：Ngoc B. Pham、Sophie Deydier、Mehdi Labaied、Séverine Monnerat、Kenneth Stuart、Ronald J. Quinn

  DOI：10.1016/j.ejmech.2013.12.050

  日期：2014.3

  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