2-(Piperidin-1-ylmethyl)-3-(1,1,4-trioxo-1,2,3,5-thiatriazolidin-2-yl)propanenitrile | 1630042-07-7

• 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: 2-(Piperidin-1-ylmethyl)-3-(1,1,4-trioxo-1,2,3,5-thiatriazolidin-2-yl)propanenitrile
• 英文别名: 2-(piperidin-1-ylmethyl)-3-(1,1,4-trioxo-1,2,3,5-thiatriazolidin-2-yl)propanenitrile
• CAS: 1630042-07-7
• 化学式: C₁₀H₁₇N₅O₃S
• 分子量: 287.343
• InChiKey: FYTXXHCIMGYLKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-(哌啶甲基)丙烯腈 在 一水合肼 作用下， 以 甲苯 为溶剂， 反应 1.5h， 生成 2-(Piperidin-1-ylmethyl)-3-(1,1,4-trioxo-1,2,3,5-thiatriazolidin-2-yl)propanenitrile
  参考文献：
  名称：

  一些新取代的 1,2,3,5-Thiatriazolidin-4-one 1,1-Dioxides 的高效一锅法合成

  摘要：

  A series of some new 1,2,3,5-thiatriazolidin-4-one 1,1-dioxides derivatives were synthesized by reacting respectively beta-cyanohydrazines and phosphorylated hydrazine with chlorosulfonyl isocyanate in good yields. The structures of all the newly prepared compounds were confirmed by IR, H-1, C-13, P-31-NMR spectral data and elemental analysis.

  DOI：

  10.3987/com-14-12980

文献信息

• An Efficient One-Pot Synthesis of Some New Substituted 1,2,3,5-Thiatriazolidin-4-one 1,1-Dioxides
  作者：Monaem Balti、Khaireddine Dridi、Mohamed Lotfi El Efrit

  DOI：10.3987/com-14-12980

  日期：——

  A series of some new 1,2,3,5-thiatriazolidin-4-one 1,1-dioxides derivatives were synthesized by reacting respectively beta-cyanohydrazines and phosphorylated hydrazine with chlorosulfonyl isocyanate in good yields. The structures of all the newly prepared compounds were confirmed by IR, H-1, C-13, P-31-NMR spectral data and elemental analysis.