N¹-(3-chlorophenethyl)-N³,N³-dimethylpropane-1,3-diamine | 1566026-91-2

• 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: N¹-(3-chlorophenethyl)-N³,N³-dimethylpropane-1,3-diamine
• 英文别名: N-[2-(3-chlorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
• CAS: 1566026-91-2
• 化学式: C₁₃H₂₁ClN₂
• 分子量: 240.776
• InChiKey: LDCWGJAOHHWVNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 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：

  3-氯苯乙醇 、 N,N-二甲基-1,3-二氨基丙烷 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以75%的产率得到N¹-(3-chlorophenethyl)-N³,N³-dimethylpropane-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