3-(2-(3,4-difluorophenyl)-2-(2-(trifluoromethoxy)phenoxy)ethyl)azetidine | 1620088-00-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(2-(3,4-difluorophenyl)-2-(2-(trifluoromethoxy)phenoxy)ethyl)azetidine
• 英文别名: 3-[2-(3,4-Difluorophenyl)-2-[2-(trifluoromethoxy)phenoxy]ethyl]azetidine；3-[2-(3,4-difluorophenyl)-2-[2-(trifluoromethoxy)phenoxy]ethyl]azetidine
• CAS: 1620088-00-7
• 化学式: C₁₈H₁₆F₅NO₂
• 分子量: 373.323
• InChiKey: QDXMLWBTDCCUTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  tert-butyl 3-(2-(3,4-difluorophenyl)-2-hydroxyethyl)azetidine-1-carboxylate 在 盐酸 、 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 30.5h， 生成 3-(2-(3,4-difluorophenyl)-2-(2-(trifluoromethoxy)phenoxy)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.