7-(trifluoromethyl)-1-azaphenoxathiin | 72719-63-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7-(trifluoromethyl)-1-azaphenoxathiin
• 英文别名: [1,4]Benzoxathiino[3,2-b]pyridine, 7-(trifluoromethyl)-；7-(trifluoromethyl)-[1,4]benzoxathiino[3,2-b]pyridine
• CAS: 72719-63-2
• 化学式: C₁₂H₆F₃NOS
• 分子量: 269.247
• InChiKey: FDHAXQOUQAGVNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  47.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  7-(trifluoromethyl)-1-azaphenoxathiin 在 双氧水 作用下， 以 溶剂黄146 为溶剂， 反应 0.25h， 以33%的产率得到7-(trifluoromethyl)-1-azaphenoxathiin 10,10-dioxide
  参考文献：
  名称：

  Central nervous system activity of 7-substituted 1-azaphenoxathiin analogs and their oxidation products

  摘要：

  A number of 7-substituted 1-azaphenoxathiins and their sulfone oxidation products have been synthesized and screened for central nervous system activity. Some of the compounds have antidepressant activity, with the most active, 7-(trifluoromethyl)-1-azaphenoxathiin 10,10-dioxide (8), having similar potency to imipramine.

  DOI：

  10.1021/jm00177a028
• 作为产物：
  描述：

  4-氯-3-硝基三氟甲苯 、 2-巯基-3-吡啶醇 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以54%的产率得到7-(trifluoromethyl)-1-azaphenoxathiin
  参考文献：
  名称：

  Central nervous system activity of 7-substituted 1-azaphenoxathiin analogs and their oxidation products

  摘要：

  A number of 7-substituted 1-azaphenoxathiins and their sulfone oxidation products have been synthesized and screened for central nervous system activity. Some of the compounds have antidepressant activity, with the most active, 7-(trifluoromethyl)-1-azaphenoxathiin 10,10-dioxide (8), having similar potency to imipramine.

  DOI：

  10.1021/jm00177a028

文献信息

• US4119629A
  申请人：——

  公开号：US4119629A

  公开（公告）日：1978-10-10
• Central nervous system activity of 7-substituted 1-azaphenoxathiin analogs and their oxidation products
  作者：Arthur J. Elliott、Norman Eisenstein、Louis C. Iorio

  DOI：10.1021/jm00177a028

  日期：1980.3

  A number of 7-substituted 1-azaphenoxathiins and their sulfone oxidation products have been synthesized and screened for central nervous system activity. Some of the compounds have antidepressant activity, with the most active, 7-(trifluoromethyl)-1-azaphenoxathiin 10,10-dioxide (8), having similar potency to imipramine.