2-[(4-Methylmorpholin-4-ium-4-yl)methyl]prop-2-enenitrile;iodide | 1227009-87-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 2-[(4-Methylmorpholin-4-ium-4-yl)methyl]prop-2-enenitrile;iodide
• CAS: 1227009-87-1
• 化学式: C₉H₁₅N₂O*I
• 分子量: 294.135
• InChiKey: RWYBZZFGLLTPME-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.45
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-mercaptoacetonitrile 、 2-[(4-Methylmorpholin-4-ium-4-yl)methyl]prop-2-enenitrile;iodide 以 乙醇 为溶剂， 以78%的产率得到2-cyanoprop-2-enylthioacetonitrile
  参考文献：
  名称：

  Convenient Synthesis of 2,4-Disubstituted Tetrahydrothiophenes from Mannich's Adducts

  摘要：

  Ammonium salts of -functionalized allylic amines 1 were successfully employed as electrophilic agents with functional thiols. The obtained intermediate 2 underwent intramolecular cyclization in the presence of potassium tert-butoxide to afford 2,4-disubstituted tetrahydrothiophenes 3.

  DOI：

  10.1080/00397910802573148
• 作为产物：
  描述：

  2-(吗啉甲基)丙烯腈 、 碘甲烷 生成 2-[(4-Methylmorpholin-4-ium-4-yl)methyl]prop-2-enenitrile;iodide
  参考文献：
  名称：

  Convenient Synthesis of 2,4-Disubstituted Tetrahydrothiophenes from Mannich's Adducts

  摘要：

  Ammonium salts of -functionalized allylic amines 1 were successfully employed as electrophilic agents with functional thiols. The obtained intermediate 2 underwent intramolecular cyclization in the presence of potassium tert-butoxide to afford 2,4-disubstituted tetrahydrothiophenes 3.

  DOI：

  10.1080/00397910802573148

文献信息

• Convenient Synthesis of 2,4-Disubstituted Tetrahydrothiophenes from Mannich's Adducts
  作者：Hedi M'rabet、Mohamed Ould M'hamed、Mohamed Lotfi Efrit

  DOI：10.1080/00397910802573148

  日期：2009.4.7

  Ammonium salts of -functionalized allylic amines 1 were successfully employed as electrophilic agents with functional thiols. The obtained intermediate 2 underwent intramolecular cyclization in the presence of potassium tert-butoxide to afford 2,4-disubstituted tetrahydrothiophenes 3.