4-methyl-piperazine-1-carbodithioic acid 2-cyano-ethyl ester | 1119011-09-4

• 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: 4-methyl-piperazine-1-carbodithioic acid 2-cyano-ethyl ester
• CAS: 1119011-09-4
• 化学式: C₉H₁₅N₃S₂
• 分子量: 229.37
• InChiKey: GDJQHWXYJQGWJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.17
• 重原子数：
  14.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  30.27
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  N-甲基哌嗪 、 二硫化碳 、 丙烯腈 在 alkaline Al₂O₃ 作用下， 反应 0.08h， 以75%的产率得到4-methyl-piperazine-1-carbodithioic acid 2-cyano-ethyl ester
  参考文献：
  名称：

  An efficient synthesis of aryldithiocarbamic acid esters from Michael addition of electron-deficient alkenes with arylamines and CS2 in solid media alkaline Al2O3

  摘要：

  An efficient synthesis of dithiocarbamic acid esters from Michael addition of electron-deficient alkenes with arylamines and CS2 in solid media alkaline Al2O3 was presented. This method was suitable for a wide range of amines and a variety of Michael receptors. Specially, a series of aryldithiocarbamic acid esters was obtained from arylamines through this method. The protocol offers clean reactions and high yields with simple experimental procedures. Besides, the alkaline Al2O3 could be reused. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.11.084