1-(iodomethyl)-2-oxa-5-azaspiro[4.5]decan-5-ium iodide | 1303527-50-5

• 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: 1-(iodomethyl)-2-oxa-5-azaspiro[4.5]decan-5-ium iodide
• CAS: 1303527-50-5
• 化学式: C₉H₁₇INO*I
• 分子量: 409.049
• InChiKey: PRKKIQZCQGUYMF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.22
• 重原子数：
  13.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  1-(iodomethyl)-2-oxa-5-azaspiro[4.5]decan-5-ium iodide 在 碘 作用下， 以 异丙醇 为溶剂， 生成 1-iodomethyl-2-oxa-5-azoniaspiro[4.5]decane triiodide
  参考文献：
  名称：

  Synthesis of a new heterocyclic system, 1-halomethyl-2-oxa-5-azoniaspiro[4.5]decane halides

  摘要：

  1-Halomethyl-2-oxa-5-azoniaspiro[4.5]decane halides were synthesized by reaction of 1-(2-vinyloxy)ethylpiperidine with bromine and iodine. The product structure was confirmed by H-1 NMR and IR spectroscopy, and their steric configuration was optimized in terms of the density functional theory.

  DOI：

  10.1134/s1070428011030237
• 作为产物：
  描述：

  N-(β-Vinyloxyethyl)piperidin 在 碘 作用下， 以 乙醚 为溶剂， 生成 1-(iodomethyl)-2-oxa-5-azaspiro[4.5]decan-5-ium iodide
  参考文献：
  名称：

  Synthesis of a new heterocyclic system, 1-halomethyl-2-oxa-5-azoniaspiro[4.5]decane halides

  摘要：

  1-Halomethyl-2-oxa-5-azoniaspiro[4.5]decane halides were synthesized by reaction of 1-(2-vinyloxy)ethylpiperidine with bromine and iodine. The product structure was confirmed by H-1 NMR and IR spectroscopy, and their steric configuration was optimized in terms of the density functional theory.

  DOI：

  10.1134/s1070428011030237