N-pentyl-N-methylpyrrolidinium bromide | 833446-30-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: N-pentyl-N-methylpyrrolidinium bromide
• 英文别名: 1-Methyl-1-pentylpyrrolidin-1-ium bromide；1-methyl-1-pentylpyrrolidin-1-ium;bromide
• CAS: 833446-30-3
• 化学式: Br*C₁₀H₂₂N
• 分子量: 236.195
• InChiKey: BMGVHOVMBWETQT-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.58
• 重原子数：
  12
• 可旋转键数：
  4
• 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：

  N-pentyl-N-methylpyrrolidinium bromide 在 六氟磷酸钾 作用下， 以 水 为溶剂， 生成 N-pentyl-N-methylpyrrolidinium hexafluorophosphate
  参考文献：
  名称：

  Electrolyte and a battery with said electrolyte

  摘要：

  一种用于锂离子电池的电解质，以及包含该电解质的电池。 该电解质包括锂盐、包括碳酸酯类溶剂的非水有机溶剂、阻燃剂、成膜剂和稳定剂。 阻燃剂包括PYR1RPF6（N-甲基-N-烷基吡咯烷盐）。

  公开号：

  US10763547B1
• 作为产物：
  描述：

  1-甲基吡咯烷 、 1-溴戊烷 以 丙酮 为溶剂， 生成 N-pentyl-N-methylpyrrolidinium bromide
  参考文献：
  名称：

  Low-melting, Low-viscous, Hydrophobic Ionic Liquids:N-Alkyl(alkyl ether)-N-methylpyrrolidinium Perfluoroethyltrifluoroborate

  摘要：

  一系列新型疏水性离子液体，包括N-烷基（烷基醚）-N-甲基吡咯烷鎓和全氟乙基三氟硼酸盐，被制备和表征。这些新的[C2F5BF3]−基盐的熔点低于相应的[BF4]−基盐。在这些新盐中，有五种在室温下为液态，且展现出非常低的黏度（25 °C时为37–71 cP），高离子导电性（3.0–6.8 mScm−1）和宽广的电化学窗口。

  DOI：

  10.1246/cl.2004.1636

文献信息

• Comprehensive Insights into the Thermal Stability, Biodegradability, and Combustion Chemistry of Pyrrolidinium-Based Ionic Liquids
  作者：Gebrekidan Gebresilassie Eshetu、Sangsik Jeong、Pascal Pandard、Amandine Lecocq、Guy Marlair、Stefano Passerini

  DOI：10.1002/cssc.201701006

  日期：2017.8.10

  electrochemical energy‐storage devices is one of the most appealing and emerging options. However, although ILs are hailed as safer and eco‐friendly electrolytes, to overcome the limitations imposed by the highly volatile/combustible carbonate‐based electrolytes, full‐scale and precise appraisal of their overall safety levels under abuse conditions still needs to be fully addressed. With the aim of providing

  在电化学储能设备中，将离子液体（IL）用作高级电解质组分是最有吸引力和新兴的选择之一。但是，尽管IL被誉为更安全和环保的电解质，但要克服高挥发性/可燃碳酸盐基电解质带来的局限性，仍需要充分解决在滥用条件下对其整体安全水平进行全面和准确评估的问题。 。为了在此提供有关热稳定性，化学稳定性以及实际火灾隐患的信息，本文详细研究了各种基于吡咯烷鎓类离子液体的短期和长期热稳定性，生物降解性和燃烧行为。具有不同的烷基链长度，抗衡阴离子和阳离子，以及掺杂锂盐的效果，
• Thermochemistry of the pyridinium- and pyrrolidinium-based ionic liquids
  作者：Sergey P. Verevkin、Ricardas V. Ralys、Vladimir N. Emel’yanenko、Dzmitry H. Zaitsau、Christoph Schick

  DOI：10.1007/s10973-012-2725-4

  日期：2013.4

  We applied DSC for the determination of enthalpies of synthesis reactions of pyridinium- and pyrrolidinium-based ionic liquids (ILs) from pyridine (or N-methyl-pyrrolidine) and n-alkyl bromides (with n = 4, 5, 6, 7, and 8). The combination of reaction enthalpy measurements by DSC with modern high-level first-principles calculations opens valuable indirect thermochemical options to obtain values of enthalpies of the formation and vaporization enthalpies of ILs.

  我们应用差示扫描量热法（DSC）来确定由吡啶（或N-甲基吡咯烷）和n-烷基溴化物（n=4, 5, 6, 7和8）合成的吡啶离子液体（ILs）和吡咯烷离子液体的合成反应焓。通过DSC测量反应焓与现代高水平第一原理计算的结合，为获得离子液体的形成焓和蒸发焓值提供了有价值的间接热化学选项。
• Halogen-free pyrrolidinium bis(mandelato)borate ionic liquids: some physicochemical properties and lubrication performance as additives to polyethylene glycol
  作者：Mamoun Taher、Faiz Ullah Shah、Andrei Filippov、Patrick de Baets、Sergei Glavatskih、Oleg N. Antzutkin

  DOI：10.1039/c4ra02551b

  日期：——

  Friction coefficients for a pyrrolidinium orthoborate ionic liquid as 3 wt% additive in PEG, neat PEG and 5W40.

  一种吡咯烷基正硼酸盐离子液体作为PEG中3 wt%添加剂、纯PEG和5W40中的摩擦系数。
• AN ELECTROLYTE AND A BATTERY WITH SAID ELECTROLYTE
  申请人：High Tech Battery Inc.

  公开号：EP3799184A1

  公开（公告）日：2021-03-31

  An electrolyte for a lithium-ion battery, and a battery thereof, comprising a lithium salt, a non-aqueous organic solvent which includes a carbonate-based solvent, a flame retardant, a film former and a stabilizing medium. The flame retardant comprises PYR1RPF6 (N-Methyl-N-alkylpyrrolidinium Hexafluorophosphate Salt) and a battery thereof.

  一种用于锂离子电池的电解液及其电池，包括一种锂盐、一种非水有机溶剂（其中包括一种碳酸盐基溶剂）、一种阻燃剂、一种成膜剂和一种稳定介质。阻燃剂包括PYR1RPF6（N-甲基-N-烷基吡咯烷鎓六氟磷酸盐）及其电池。
• Activity Coefficients at Infinite Dilution for Organic Solutes Dissolved in Three 1-Alkyl-1-methylpyrrolidinium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Bearing Short Linear Alkyl Side Chains of Three to Five Carbons
  作者：Fabrice Mutelet、El-Sayed R. E. Hassan、Timothy W. Stephens、William E. Acree、Gary A. Baker

  DOI：10.1021/je4001894

  日期：2013.8.8

  In this work, we report the infinite dilution activity coefficients (gamma(infinity)(1,2)) of 39 to 43 diverse organic solutes dissolved in three 1-alkyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide ionic liquids (IL) homologues bearing propyl, butyl, and pentyl n-alkyl side chains, respectively, as determined by inverse gas chromatography at temperatures from 323 K to 343 K The organic solutes include various (cyclo)alkanes, alkenes, alkynes, aromatic hydrocarbons, alcohols, thiophene, ethers, nitroalkanes, and ketones. The measured retention data were further transformed to gas-to-IL and water-to-IL partition coefficients using established thermodynamic approaches based upon the corresponding gas-to-water partition coefficients of the test solutes. Both sets of partition coefficients were interpreted with a modified form of the basic Abraham general solvation parameter model. The mathematical correlations obtained by regression analysis back calculated the observed gas-to-IL and water-to-IL partition coefficient data to within average standard deviations of 0.104 and 0.136 log units, respectively.