4-(but-2-en-1-yl)-4-(pent-4-en-2-yn-1-yl)morpholin-4-ium bromide | 1158827-73-6

• 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: 4-(but-2-en-1-yl)-4-(pent-4-en-2-yn-1-yl)morpholin-4-ium bromide
• CAS: 1158827-73-6
• 化学式: Br*C₁₃H₂₀NO
• 分子量: 286.212
• InChiKey: AUCZCYUFVQPHPI-UHFFFAOYSA-M

物化性质

• 熔点：
  155 °C

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  16.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  4-(but-2-en-1-yl)-4-(pent-4-en-2-yn-1-yl)morpholin-4-ium bromide 在 氢氧化钾 作用下， 以 水 为溶剂， 生成 Br^(1-)*C₁₃H₂₀NO⁽¹⁺⁾
  参考文献：
  名称：

  Base catalyzed intramolecular cyclization of dialkycrotyl(3-alkenylpropyn-2-yl)ammonium salts and aqueous base fission of 2,2-dialkyl-4-methyl-and 2,2-dialkyl-4,6-dimethyl-2,6,7,7a-tetrahydro-1H-isoindolium bromides

  摘要：

  Cyclization of dimethylcrotyl(3-vinyl-or-3-isopropenylpropyn-2-yl)ammonium bromides in the presence of base gave a mixture of the isomeric 2,2-dialkyl-4-methyl-and 2,2-dialkyl-4,6-dimethyl-2,6,7,7a-tetrahydro-1H-isoindolium bromides. Basic fission of the salts obtained at increased temperature gave a mixture of the isomeric N,N-disubstituted di-and trimethylbenzylamines whose structures were confirmed by their IR, H-1 NMR, and C-13 NMR spectra.

  DOI：

  10.1007/s10593-008-0090-9
• 作为产物：
  描述：

  4-戊-4-烯-2-炔基-吗啉 、 1-溴-2-丁烯 以 乙醚 、 乙腈 为溶剂， 以98%的产率得到4-(but-2-en-1-yl)-4-(pent-4-en-2-yn-1-yl)morpholin-4-ium bromide
  参考文献：
  名称：

  Base catalyzed intramolecular cyclization of dialkycrotyl(3-alkenylpropyn-2-yl)ammonium salts and aqueous base fission of 2,2-dialkyl-4-methyl-and 2,2-dialkyl-4,6-dimethyl-2,6,7,7a-tetrahydro-1H-isoindolium bromides

  摘要：

  Cyclization of dimethylcrotyl(3-vinyl-or-3-isopropenylpropyn-2-yl)ammonium bromides in the presence of base gave a mixture of the isomeric 2,2-dialkyl-4-methyl-and 2,2-dialkyl-4,6-dimethyl-2,6,7,7a-tetrahydro-1H-isoindolium bromides. Basic fission of the salts obtained at increased temperature gave a mixture of the isomeric N,N-disubstituted di-and trimethylbenzylamines whose structures were confirmed by their IR, H-1 NMR, and C-13 NMR spectra.

  DOI：

  10.1007/s10593-008-0090-9