5-(2-Bromo-acetyl)-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one

• 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-(2-Bromo-acetyl)-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one
• 英文别名: 5-(2-bromoacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
• 化学式: C₁₁H₁₁BrN₂O₂
• 分子量: 283.125
• InChiKey: BKXRGYWHAIJMCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(2-Bromo-acetyl)-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one 、 5-Chloro-1-(2-oxo-2-piperazin-1-yl-ethyl)-1H-indole-2,3-dione 在 PS-DIEA 作用下， 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Parallel synthesis of isatin-based serine protease inhibitors

  摘要：

  The synthesis of N-functionalised isatins using parallel, solution synthesis is described. Functionalised polymers were employed as stoichiometric and catalytic reagents as well as purification media in the exercise, and the derivatives were screened against a panel of serine proteases; high percentage inhibition was observed in several cases. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00523-0