11-Methyl-10,11-dihydro-dibenzo<1,4>thiazepin | 1489-19-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 英文名称: 11-Methyl-10,11-dihydro-dibenzo<1,4>thiazepin
• 英文别名: 6-Methyl-5,6-dihydrobenzo[b][1,4]benzothiazepine
• CAS: 1489-19-6
• 化学式: C₁₄H₁₃NS
• 分子量: 227.33
• InChiKey: SOEOQZDCAQAIMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• PROCESS FOR PREPARING QUETIAPINE AND QUETIAPINE FUMARATE
  申请人：Bosch I Llado Jordi

  公开号：US20090076262A1

  公开（公告）日：2009-03-19

  The invention comprises a process for preparing quetiapine and/or its salts, including, quetiapine fumarate. The process generally comprises reacting dibenzothiazepinone (dibenzo[bf][1,4]thiazepin-11(10H)-one) with phosphorous oxychloride in the presence of triethylamine in an aromatic organic solvent such as toluene or, preferably, xylene at reflux temperature to obtain an aromatic hydrocarbon solution of 11-chloro-dibenzo[bf][1,4]thiazepine. Thereafter, the 11-chloro-dibenzo[bf][1,4]thiazepine is reacted with 2-(2-piperazin-1-ylethoxy)-ethanol to yield, following several processing steps, quetiapine. Compound I can then be further reacted with fumaric acid at elevated temperature to yield quetiapine fumarate. The resulting quetiapine fumarate obtained is suitable for use in pharmaceutical preparations.

  该发明涉及一种制备喹硫平及/或其盐的过程，包括喹硫平富马酸盐。该过程通常包括在芳香有机溶剂（如甲苯或更好的二甲苯）中，在回流温度下，将二苯并噻吩酮（二苯并[bf][1,4]噻吩-11(10H)-酮）与三乙胺的存在下与氯化亚磷酸酯反应，以获得11-氯二苯并[bf][1,4]噻吩的芳香烃溶液。随后，将11-氯二苯并[bf][1,4]噻吩与2-(2-哌嗪-1-基乙氧基)-乙醇反应，经过几个处理步骤，得到喹硫平。化合物I随后可以在高温下与富马酸反应，生成喹硫平富马酸盐。获得的喹硫平富马酸盐适用于制药制剂中的使用。
• US8048876B2
  申请人：——

  公开号：US8048876B2

  公开（公告）日：2011-11-01