[[2,6-bis(4-chlorophenyl)-1,3-dimethylpiperidin-4-ylidene]amino]thiourea | 861882-17-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: [[2,6-bis(4-chlorophenyl)-1,3-dimethylpiperidin-4-ylidene]amino]thiourea
• CAS: 861882-17-9
• 化学式: C₂₀H₂₂Cl₂N₄S
• 分子量: 421.393
• InChiKey: WKGOMUWOMYBLIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.94
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  53.65
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  [[2,6-bis(4-chlorophenyl)-1,3-dimethylpiperidin-4-ylidene]amino]thiourea 在 双氧水 作用下， 以 氯仿 为溶剂， 反应 3.0h， 以73%的产率得到6,8-dimethyl-7,9-bis(4-chlorophenyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-thione
  参考文献：
  名称：

  Synthesis and study of antibacterial and antifungal activities of novel 8-methyl-7,9-diaryl-1,2,4,8-tetraazaspiro[4.5]decan-3-thiones

  摘要：

  Some novel spiropiperidinyl-1,2,4-triazolidin-3-thiones have been synthesized and studied for their antibacterial activity against Staphylococcus aureus, Bacillus subtilis, Escherichia coli and Pseudomonas aeruginosa and antifungal activity against Candida albicans, Candida-6, Candida-51, Aspergillus niger and Aspergillus flavus. Compounds 30-32 exhibited potent in vitro antibacterial activity against E. coli and P. aeruginosa whereas the same set of compounds exerted potent in vitro antifungal activity against Candida-6, A. niger and A. flavus. (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2005.02.001
• 作为产物：
  描述：

  2,6-Bis-(4-chloro-phenyl)-3-methyl-piperidin-4-one 在 氢气 、 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 [[2,6-bis(4-chlorophenyl)-1,3-dimethylpiperidin-4-ylidene]amino]thiourea
  参考文献：
  名称：

  Synthesis and study of antibacterial and antifungal activities of novel 8-methyl-7,9-diaryl-1,2,4,8-tetraazaspiro[4.5]decan-3-thiones

  摘要：

  Some novel spiropiperidinyl-1,2,4-triazolidin-3-thiones have been synthesized and studied for their antibacterial activity against Staphylococcus aureus, Bacillus subtilis, Escherichia coli and Pseudomonas aeruginosa and antifungal activity against Candida albicans, Candida-6, Candida-51, Aspergillus niger and Aspergillus flavus. Compounds 30-32 exhibited potent in vitro antibacterial activity against E. coli and P. aeruginosa whereas the same set of compounds exerted potent in vitro antifungal activity against Candida-6, A. niger and A. flavus. (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2005.02.001