3-(2-(2-chlorophenoxy)-2-(3,4-dichlorophenyl)ethyl)azetidine | 1629245-94-8

• 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: 3-(2-(2-chlorophenoxy)-2-(3,4-dichlorophenyl)ethyl)azetidine
• 英文别名: 3-[2-(2-Chlorophenoxy)-2-(3,4-dichlorophenyl)ethyl]azetidine；3-[2-(2-chlorophenoxy)-2-(3,4-dichlorophenyl)ethyl]azetidine
• CAS: 1629245-94-8
• 化学式: C₁₇H₁₆Cl₃NO
• 分子量: 356.679
• InChiKey: GFGPKOBHHRPKSF-UHFFFAOYSA-N

物化性质

• 沸点：
  459.704±35.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.320±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 盐酸 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 、 mineral oil 为溶剂， 反应 25.0h， 生成 3-(2-(2-chlorophenoxy)-2-(3,4-dichlorophenyl)ethyl)azetidine
  参考文献：
  名称：

  Synthesis and biological evaluation of 3-phenethylazetidine derivatives as triple reuptake inhibitors

  摘要：

  We report the synthesis of 3-phenethylazetidine derivatives 2 and their biological activities against 5-HT, NE and DA transporters as well as microsomal stability, CYP inhibition, and hERG inhibition profiles. Compound 2at showed most potent triple reuptake inhibitor with good selectivity as a candidate for depression. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.06.026

文献信息

• Synthesis and biological evaluation of 3-phenethylazetidine derivatives as triple reuptake inhibitors
  作者：Jun Yun、Minsoo Han、Chiman Song、Seung Hoon Cheon、Kihang Choi、Hoh-Gyu Hahn

  DOI：10.1016/j.bmcl.2014.06.026

  日期：2014.8

  We report the synthesis of 3-phenethylazetidine derivatives 2 and their biological activities against 5-HT, NE and DA transporters as well as microsomal stability, CYP inhibition, and hERG inhibition profiles. Compound 2at showed most potent triple reuptake inhibitor with good selectivity as a candidate for depression. (C) 2014 Elsevier Ltd. All rights reserved.