1-{3-[1-(benzothiazol-7-yl-amino)but-3-enyl]indol-1-yl}ethanone | 1281881-57-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-{3-[1-(benzothiazol-7-yl-amino)but-3-enyl]indol-1-yl}ethanone
• 英文别名: 1-[3-[1-(1,3-Benzothiazol-7-ylamino)but-3-enyl]indol-1-yl]ethanone；1-[3-[1-(1,3-benzothiazol-7-ylamino)but-3-enyl]indol-1-yl]ethanone
• CAS: 1281881-57-9
• 化学式: C₂₁H₁₉N₃OS
• 分子量: 361.467
• InChiKey: NDZVZIWXSQOJRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  75.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯并[D]噻唑-7-胺 、 N-乙酰基吲哚-3-甲醛 、 烯丙基三丁基锡 在 三氟乙酸 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以68%的产率得到1-{3-[1-(benzothiazol-7-yl-amino)but-3-enyl]indol-1-yl}ethanone
  参考文献：
  名称：

  A novel series of homoallylic amines as potential antimicrobials

  摘要：

  An efficient catalytic three-component reaction of aldehydes, amines, and allyltributylstannate has been successfully developed to produce homoallylic amines at 25A degrees C, in excellent yields, in the presence of 1 mol% of trifluoroacetic acid an inexpensive and environmentally friendly catalyst. Newly synthesized compounds were confirmed by spectral studies. Compound 3o was characterized by single crystal X-ray analysis. All the compounds were also screened for their antimicrobial activity. Halogen-substituted compounds namely 3d, 3g, 3n, and 3o have showed excellent antibacterial activity.

  DOI：

  10.1007/s00044-011-9607-3

文献信息

• A novel series of homoallylic amines as potential antimicrobials
  作者：U. Sankappa Rai、Arun M. Isloor、Prakash Shetty、Nishitha Isloor、Mahesh Padaki、Hoong-Kun Fun

  DOI：10.1007/s00044-011-9607-3

  日期：2012.7

  An efficient catalytic three-component reaction of aldehydes, amines, and allyltributylstannate has been successfully developed to produce homoallylic amines at 25A degrees C, in excellent yields, in the presence of 1 mol% of trifluoroacetic acid an inexpensive and environmentally friendly catalyst. Newly synthesized compounds were confirmed by spectral studies. Compound 3o was characterized by single crystal X-ray analysis. All the compounds were also screened for their antimicrobial activity. Halogen-substituted compounds namely 3d, 3g, 3n, and 3o have showed excellent antibacterial activity.