4-benzyl-1,1-dimethyl-piperidinium; iodide | 109262-02-4

• 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: 4-benzyl-1,1-dimethyl-piperidinium; iodide
• 英文别名: 4-Benzyl-1,1-dimethyl-piperidinium; Jodid；4-Benzyl-1,1-dimethylpiperidin-1-ium;iodide
• CAS: 109262-02-4
• 化学式: C₁₄H₂₂N*I
• 分子量: 331.24
• InChiKey: XQUDPPVKQWEMCK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.28
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4-(α-hydroxy-benzyl)-1-methyl-piperidin-3-one 在 盐酸 、 乙醚 、 乙醇 、 amalgamated tin 作用下， 生成 4-benzyl-1,1-dimethyl-piperidinium; iodide
  参考文献：
  名称：

  A consistent and verifiable macroscopic model for the dissolution of liquid CO2 in water under hydrate forming conditions

  摘要：

  Direct injection of liquid CO2 into the ocean has been proposed as one method to reduce the emission levels Of CO2 into the atmosphere. When liquid CO2 is injected (normally as droplets) at ocean depths > 500 in, a solid interfacial region between the CO2 and the water is observed to form. This region consists of hydrate clathrates and hinders the rate of dissolution Of CO2 . It is, therefore, expected to have a significant impact on the injection of liquid CO2 into the ocean. Up until now, no consistent and predictive model for the shrinking of droplets Of CO2 under hydrate forming conditions has been proposed. This is because all models proposed to date have had too many unknowns. By computing rates of the physical and chemical processes in hydrates. via molecular dynamics simulations, we have been able to determine independently some of these unknowns. We then propose the,most reasonable model and use it to make independent predictions of the rates of mass transfer and thickness of the hydrate region. These predictions are compared to measurements, and implications to the rates of shrinkage Of CO2 droplets under varying flow conditions are discussed. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0196-8904(01)00184-4

文献信息

• Insight into the Alkaline Stability of N‐Heterocyclic Ammonium Groups for Anion‐Exchange Polyelectrolytes
  作者：Nanjun Chen、Yiqi Jin、Haijun Liu、Chuan Hu、Bo Wu、Shaoyi Xu、Hui Li、Jiantao Fan、Young Moo Lee

  DOI：10.1002/anie.202105231

  日期：2021.8.23

  nucleophilic substitution is the dominant degradation pathway in NHAs, while Hofmann elimination is the primary degradation pathway for NHA-based AEMs. Different degradation pathways determine the alkaline stability of NHAs or NHA-based AEMs. AEMFC durability (from 1 A cm−2 to 3 A cm−2) suggests that NHA-based AEMs are mainly subjected to Hofmann elimination under 1 A cm−2 current density for 1000 h, providing

  N-杂环铵 (NHA) 基团的碱性稳定性是阴离子交换膜 (AEM) 和 AEM 燃料电池 (AEMFC) 的关键课题。在这里，我们报告了对 24 个代表性 NHA 基团在不同水合数（λ) 在 80 °C。结果表明，含有给电子基团的 γ 取代 NHA 显示出优异的碱性稳定性，而吸电子取代基对耐久的 NHA 有害。密度泛函理论计算和实验结果表明，亲核取代是 NHA 的主要降解途径，而霍夫曼消除是基于 NHA 的 AEM 的主要降解途径。不同的降解途径决定了 NHA 或基于 NHA 的 AEM 的碱性稳定性。AEMFC 耐久性（从 1 A cm -2到 3 A cm -2）表明基于 NHA 的 AEM 主要在 1 A cm -2电流密度下进行 1000 小时的霍夫曼消除，从而深入了解电流密度与λ之间的关系 基于 NHA 的 AEM 的价值和耐久性。