5-methyl-12H-indolo<2,3-b>-1,5-benzothiazepine | 153528-01-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 5-methyl-12H-indolo<2,3-b>-1,5-benzothiazepine
• CAS: 153528-01-9
• 化学式: C₁₆H₁₂N₂S
• 分子量: 264.351
• InChiKey: LAXJKTUPBWDFMO-UHFFFAOYSA-N

物化性质

• 沸点：
  457.4±37.0 °C(predicted)
• 密度：
  1.32±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.77
• 重原子数：
  19.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  28.15
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  5-methyl-12H-indolo<2,3-b>-1,5-benzothiazepine 、 碘甲烷 在 氢氧化钾 、 四丁基溴化铵 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以85%的产率得到5,12-dimethylindolo<2,3-b>-1,5-benzothiazepine
  参考文献：
  名称：

  Synthesis, antimicrobial and cytostatic activities of some derivatives of indolo[2,3-b]-1,5-benzothiazepine, a novel heterocyclic ring system

  摘要：

  Some derivatives of indolo[2,3-b]-1,5-benzothiazepine, a novel heterocyclic ring system, and of its 5,6-dihydroderivative have been obtained by Fischer indolization of corresponding phenylhydrazones. All the tetracyclic compounds were studied for their antimicrobial and cytostatic activities and several of them showed good activity against Gram-positive bacteria and Cryptococci.

  DOI：

  10.1016/0223-5234(93)90024-9
• 作为产物：
  描述：

  4-甲基-1,5-苯并硫氮杂卓-2(3H)-酮 在 盐酸 、 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 1.25h， 生成 5-methyl-12H-indolo<2,3-b>-1,5-benzothiazepine
  参考文献：
  名称：

  Synthesis, antimicrobial and cytostatic activities of some derivatives of indolo[2,3-b]-1,5-benzothiazepine, a novel heterocyclic ring system

  摘要：

  Some derivatives of indolo[2,3-b]-1,5-benzothiazepine, a novel heterocyclic ring system, and of its 5,6-dihydroderivative have been obtained by Fischer indolization of corresponding phenylhydrazones. All the tetracyclic compounds were studied for their antimicrobial and cytostatic activities and several of them showed good activity against Gram-positive bacteria and Cryptococci.

  DOI：

  10.1016/0223-5234(93)90024-9