(E)-2-[4-(Piperidin-1-yl)benzylidene]-2,3-dihydro-1H-inden-1-one | 1262587-96-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (E)-2-[4-(Piperidin-1-yl)benzylidene]-2,3-dihydro-1H-inden-1-one
• 英文别名: (2E)-2-[(4-piperidin-1-ylphenyl)methylidene]-3H-inden-1-one
• CAS: 1262587-96-1
• 化学式: C₂₁H₂₁NO
• 分子量: 303.404
• InChiKey: JSWADHZCDAHEHR-NBVRZTHBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-哌啶-1-基-苯甲醛 、 1-茚酮 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 (E)-2-[4-(Piperidin-1-yl)benzylidene]-2,3-dihydro-1H-inden-1-one
  参考文献：
  名称：

  A facile three-component [3+2]-cycloaddition for the regioselective synthesis of highly functionalised dispiropyrrolidines acting as antimycobacterial agents

  摘要：

  A series of fourteen dispiropyrrolidines were synthesized using [3+2]-cycloaddition reactions and were screened for their antimycobacterial activity against Mycobacterium tuberculosis H(37)Rv in HTS (High Throughput Screen). Most of the compounds showed moderate to good activity with MIC of less than 20 mu M. Compound 4'-(4-bromophenyl)-1'-methyldispiro[acenaphthylene-1,2'-pyrrolidine-3',2 ''-indane]-2',1 ''(1H)-dione (4c) was found to be the most active with MIC of 12.50 mu M. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.12.069

文献信息

• A facile three-component [3+2]-cycloaddition for the regioselective synthesis of highly functionalised dispiropyrrolidines acting as antimycobacterial agents
  作者：Ang Chee Wei、Mohamed Ashraf Ali、Yeong Keng Yoon、Rusli Ismail、Tan Soo Choon、Raju Suresh Kumar

  DOI：10.1016/j.bmcl.2012.12.069

  日期：2013.3

  A series of fourteen dispiropyrrolidines were synthesized using [3+2]-cycloaddition reactions and were screened for their antimycobacterial activity against Mycobacterium tuberculosis H(37)Rv in HTS (High Throughput Screen). Most of the compounds showed moderate to good activity with MIC of less than 20 mu M. Compound 4'-(4-bromophenyl)-1'-methyldispiro[acenaphthylene-1,2'-pyrrolidine-3',2 ''-indane]-2',1 ''(1H)-dione (4c) was found to be the most active with MIC of 12.50 mu M. (c) 2013 Elsevier Ltd. All rights reserved.