5-(4-methylbenzyl)-2-(4-(3-methylphenyl)-1-piperazinyl)-1,3-thiazol-4(5H)-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 5-(4-methylbenzyl)-2-(4-(3-methylphenyl)-1-piperazinyl)-1,3-thiazol-4(5H)-one
• 英文别名: 5-[(4-Methylphenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one
• 化学式: C₂₂H₂₅N₃OS
• 分子量: 379.526
• InChiKey: AESSVGVAGUUQTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  61.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(3-（甲基苯基）哌啶 、 Methyl 3-(4-methylphenyl)-2-thiocyanatopropanoate 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 以57%的产率得到5-(4-methylbenzyl)-2-(4-(3-methylphenyl)-1-piperazinyl)-1,3-thiazol-4(5H)-one
  参考文献：
  名称：

  Utilization of Methyl 3-Aryl-2-thiocyanatopropanoates in the Synthesis of 2-(4-Morpholinyl)- and 2-(Piperazinyl)-5-(benzyl)thiazol-4-ones¹

  摘要：

  By the reaction of methylacrylate with arenediazonium salts and KSCN in the presence of copper(II) acetate, the methyl 3-aryl-2-thiocyanatopropanoates 2 have been obtained. These compounds react with morpholine or monosubstituted piperazines in the presence of acetic acid to form 2-(4-morpholinyl)- or 2-(4-R-piperazinyl)-5-(R'-benzyl)thiazol-4-ones 4 and 5, respectively.

  DOI：

  10.1080/10426500701242103

文献信息

• Utilization of Methyl 3-Aryl-2-thiocyanatopropanoates in the Synthesis of 2-(4-Morpholinyl)- and 2-(Piperazinyl)-5-(benzyl)thiazol-4-ones¹
  作者：Mykola D. Obushak、Volodymyr V. Karpyak、Yuri V. Ostapiuk、Vasyl S. Matiychuk

  DOI：10.1080/10426500701242103

  日期：2007.6.1

  By the reaction of methylacrylate with arenediazonium salts and KSCN in the presence of copper(II) acetate, the methyl 3-aryl-2-thiocyanatopropanoates 2 have been obtained. These compounds react with morpholine or monosubstituted piperazines in the presence of acetic acid to form 2-(4-morpholinyl)- or 2-(4-R-piperazinyl)-5-(R'-benzyl)thiazol-4-ones 4 and 5, respectively.