1-isopropyl-1-methyl-piperidinium; iodide | 84437-36-5

• 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-isopropyl-1-methyl-piperidinium; iodide
• 英文别名: 1-Isopropyl-1-methyl-piperidinium; Jodid；1-Methyl-1-(propan-2-yl)piperidin-1-ium iodide；1-methyl-1-propan-2-ylpiperidin-1-ium;iodide
• CAS: 84437-36-5
• 化学式: C₉H₂₀N*I
• 分子量: 269.169
• InChiKey: WMKVNZYWBLZNIU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.97
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-isopropyl-1-methyl-piperidinium; iodide 在 sodium thiophenolate 作用下， 以 氯仿 、 乙腈 、 丁酮 为溶剂， 生成 N-甲基-N-丙基哌啶鎓溴化物
  参考文献：
  名称：

  Manoharan, T. Samuel; Madyastha, K. Madhava; Singh, B. B., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1984, vol. 23, # 1, p. 5 - 11

  摘要：

  DOI：
• 作为产物：
  描述：

  N-甲基哌啶 、 2-碘代丙烷 生成 1-isopropyl-1-methyl-piperidinium; iodide
  参考文献：
  名称：

  13C Chemical shifts and conformational equilibria in quaternary piperidinium salts

  摘要：

  AbstractCarbon‐13 nuclear magnetic resonance spectra of a series of N‐methyl‐N‐alkylpiperidinium salts have been measured, and the observed chemical shifts analysed in terms of the stereochemical and conformational properties of the molecules. Furthermore, the differences of the free energy (ΔG°) between two conformers on ring inversion have been estimated.

  DOI：

  10.1002/mrc.1270200110

文献信息

• A Convenient Method for Replacing the<i>N</i>-Methyl Group of Morphine, Codeine, and Thebaine by Other Alkyl Groups
  作者：Thomas Samuel Manoharan、Kattigari Madhava Madyastha、Bajrang Bali Singh、Surendra P. Bhatnagar、Ulrich Weiss

  DOI：10.1055/s-1983-30523

  日期：——
• 13C Chemical shifts and conformational equilibria in quaternary piperidinium salts
  作者：Makiko Sugiura、Narao Takao

  DOI：10.1002/mrc.1270200110

  日期：1982.9

  AbstractCarbon‐13 nuclear magnetic resonance spectra of a series of N‐methyl‐N‐alkylpiperidinium salts have been measured, and the observed chemical shifts analysed in terms of the stereochemical and conformational properties of the molecules. Furthermore, the differences of the free energy (ΔG°) between two conformers on ring inversion have been estimated.
• Sawa, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1944, vol. 64, p. 225,227
  作者：Sawa

  DOI：——

  日期：——
• Manoharan, T. Samuel; Madyastha, K. Madhava; Singh, B. B., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1984, vol. 23, # 1, p. 5 - 11
  作者：Manoharan, T. Samuel、Madyastha, K. Madhava、Singh, B. B.、Bhatnagar, S. P.、Weiss, Ulrich

  DOI：——

  日期：——