tert-butyl 3-(2-fluoro-6-(2-fluoro-6-methylphenoxy)phenoxy)azetidine-1-carboxylate | 1268486-46-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tert-butyl 3-(2-fluoro-6-(2-fluoro-6-methylphenoxy)phenoxy)azetidine-1-carboxylate
• CAS: 1268486-46-9
• 化学式: C₁₉H₂₀ClFN₂O₄
• 分子量: 394.83
• InChiKey: ZGNMKWFPYMNMDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.66
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  60.89
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  tert-butyl 3-(2-fluoro-6-(2-fluoro-6-methylphenoxy)phenoxy)azetidine-1-carboxylate 在 乙酰氯 作用下， 以 甲醇 为溶剂， 生成 3-(Azetidin-3-yloxy)-2-(2-chloro-6-fluorophenoxy)pyridine
  参考文献：
  名称：

  Design, synthesis, and pharmacological evaluation of azetedine and pyrrolidine derivatives as dual norepinephrine reuptake inhibitors and 5-HT1A partial agonists

  摘要：

  Compounds with combined norepinephrine reuptake inhibitor (NRI) and serotonin 1A (5-HT1A) partial agonist pharmacology may offer a new therapeutic approach for treating symptoms of neuropsychiatric disorders including ADHD, depression, and anxiety. Herein we describe the design and optimization of novel chemical matter that exhibits favorable dual NRI and 5-HT1A partial agonist activity. Lead compounds in this series were found to be devoid of activity at the dopamine transporter and were shown to be brain penetrant with high receptor occupancy. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.066
• 作为产物：
  描述：

  2-(2-chloro-6-fluorophenoxy)pyridin-3-ol 、 N-Boc-3-羟基氮杂环丁烷 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 以83%的产率得到tert-butyl 3-(2-fluoro-6-(2-fluoro-6-methylphenoxy)phenoxy)azetidine-1-carboxylate
  参考文献：
  名称：

  Design, synthesis, and pharmacological evaluation of azetedine and pyrrolidine derivatives as dual norepinephrine reuptake inhibitors and 5-HT1A partial agonists

  摘要：

  Compounds with combined norepinephrine reuptake inhibitor (NRI) and serotonin 1A (5-HT1A) partial agonist pharmacology may offer a new therapeutic approach for treating symptoms of neuropsychiatric disorders including ADHD, depression, and anxiety. Herein we describe the design and optimization of novel chemical matter that exhibits favorable dual NRI and 5-HT1A partial agonist activity. Lead compounds in this series were found to be devoid of activity at the dopamine transporter and were shown to be brain penetrant with high receptor occupancy. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.066