溴化N-辛基-3-甲基吡啶 | 872672-72-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 溴化N-辛基-3-甲基吡啶
• 英文名称: 1-octyl-3-methyl pyridinium bromide
• 英文别名: 1-octyl-3-methylpyridinium bromide；N-octyl-3-methylpyridinium bromide；N-octyl-3-metylpyridinium bromide；n-octyl-3-methylpyridium bromide；[C8mpy][Br]；ompyrBr；3-Methyl-1-octylpyridin-1-ium bromide；3-methyl-1-octylpyridin-1-ium;bromide
• CAS: 872672-72-5
• 化学式: Br*C₁₄H₂₄N
• 分子量: 286.255
• InChiKey: VVQJQWUKWMQYPF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.65
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  3.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  溴化N-辛基-3-甲基吡啶 、 meclofenamate sodium 在 sodium carbonate 作用下， 以 水 为溶剂， 反应 0.5h， 以97%的产率得到meclofenamic acid 1-octyl-3-methylpyridinium salt
  参考文献：
  名称：

  [EN] COMPOSITIONS AND PREPARATION METHODS OF LOW MELTING IONIC SALTS OF POORLY- WATER SOLUBLE DRUGS
  [FR] COMPOSITIONS ET PROCÉDÉS DE PRÉPARATION DE SELS IONIQUES À BAS POINT DE FUSION DE MÉDICAMENTS FAIBLEMENT HYDROSOLUBLES

  摘要：

  该披露通常涉及离子盐，特别是低熔点离子盐，例如贫水溶性药物的离子液体。该披露进一步涉及制备贫水溶性药物的离子盐的方法，包含它们的脂质配方以及它们在药物递送中的使用。

  公开号：

  WO2015013772A1
• 作为产物：
  描述：

  3-甲基吡啶 、 1-溴辛烷 以 甲苯 为溶剂， 以97%的产率得到溴化N-辛基-3-甲基吡啶
  参考文献：
  名称：

  Ionic liquids provide unique opportunities for oral drug delivery: structure optimization and in vivo evidence of utility

  摘要：

  定制的离子液体溶解了水溶性较差的药物丹诺酮和伊曲康唑的大量，而丹诺酮自乳化离子液体配方的曝光量比晶体药物和脂质配方分别更高且更持久。

  DOI：

  10.1039/c3cc48650h

文献信息

• Microbial biodegradation and metabolite toxicity of three pyridinium-based cation ionic liquids
  作者：Kathryn M. Docherty、Michelle V. Joyce、Konrad J. Kulacki、Charles F. Kulpa

  DOI：10.1039/b919154b

  日期：——

  Merging the disciplines of green chemistry, ecotoxicology and ecology to develop environmentally-friendly industrial chemicals represents a significant collaborative challenge. This challenge can be met by extending already-informative standard toxicity and biodegradability assays to include further information about the potential persistence and biotransformation of pollutants in the environment. Development of ionic liquids (ILs) provides an ideal and proactive test system to determine several levels of environmental impact using academically interesting and industrially relevant green chemical prototypes. In this study, we investigated the biodegradability of three ILs, 1-butyl-3-methylpyridinium bromide, 1-hexyl-3-methylpyridinium bromide and 1-octyl-3-methylpyridinium bromide, by activated sludge microbial communities. We determined that all three ILs could be fully mineralized, but that only the octyl-substituted cation could be classified as “readily biodegradable”. We directly examined biodegradation products of the ILs using reverse-phase high performance liquid chromatography/mass spectrometry and MS/MS methods, and identified several unique preliminary degradation products. Finally, we determined that IL-biodegradation products were less toxic than the initial compound to a standard aquatic test organism, Daphnia magna, suggesting that biodegradation in an aquatic environment would decrease toxicity hazards associated with the initial compound. This study provides further information about pyridinium IL-biodegradation and guidelines to structure future IL design and research.

  融合绿色化学、生态毒理学和生态学等学科，开发环境友好型工业化学品是一项重大的合作挑战。要应对这一挑战，就必须扩展已有的信息丰富的标准毒性和生物降解性检测方法，使其包括有关污染物在环境中的潜在持久性和生物转化的更多信息。离子液体（ILs）的开发提供了一个理想而积极的测试系统，可利用学术上有趣且与工业相关的绿色化学原型来确定环境影响的多个级别。在这项研究中，我们调查了活性污泥微生物群落对三种离子液体（1-丁基-3-甲基溴化吡啶鎓、1-己基-3-甲基溴化吡啶鎓和 1-辛基-3-甲基溴化吡啶鎓）的生物降解性。我们确定这三种 IL 都可以完全矿化，但只有辛基取代的阳离子可以归类为 "易于生物降解"。我们使用反相高效液相色谱/质谱法和 MS/MS 法直接检测了 IL 的生物降解产物，并确定了几种独特的初步降解产物。最后，我们确定，与初始化合物相比，IL 生物降解产物对标准水生测试生物大型蚤的毒性更低，这表明在水生环境中的生物降解会降低与初始化合物相关的毒性危害。本研究提供了有关吡啶鎓惰性生物降解的更多信息，并为今后惰性生物降解的设计和研究提供了指导。
• COMPOSITIONS AND PREPARATION METHODS OF LOW MELTING IONIC SALTS OF POORLY-WATER SOLUBLE DRUGS
  申请人：MW ENCAP LIMITED

  公开号：US20160151503A1

  公开（公告）日：2016-06-02

  The disclosure relates generally to ionic salts, particularly low-melting ionic salts such as ionic liquids, of poorly-water soluble drugs. The disclosure further relates to methods of preparing the ionic salts of poorly-water soluble drugs, lipid formulations comprising them and their use in drug delivery.

  本发明涉及离子盐，特别是低熔点的离子盐，例如离子液体，用于难溶于水的药物。本发明还涉及制备难溶于水的药物的离子盐的方法，包含它们的脂质配方以及它们在药物输送中的使用。
• Process for preparing di-tert.-butyl dicarbonate
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0468404A2

  公开（公告）日：1992-01-29

  Di-tert.-butyl dicarbonate having a high purity is prepared by reacting alkali metal tert.-butyl carbonate with methanesulfonyl chloride optionally in the presence of a phase transfer catalyst or an aromatic amine.

  高纯度的二碳酸二叔丁酯是通过碱金属碳酸叔丁酯与甲磺酰氯（可选择在相转移催化剂或芳香胺存在下）反应制备的。
• COMPOSITIONS AND PREPARATION METHODS OF LOW MELTING IONIC SALTS OF POORLY- WATER SOLUBLE DRUGS
  申请人：MW Encap Limited

  公开号：EP3027216A1

  公开（公告）日：2016-06-08
• IONIC LIQUID MEDIATED SOL-GEL SORBENTS
  申请人：Abdul Malik

  公开号：US20120128551A1

  公开（公告）日：2012-05-24

  Ionic liquid (IL)-mediated sol-gel hybrid organic-inorganic materials present enormous potential for effective use in analytical microextraction. One obstacle to materializing this prospect arises from high viscosity of ILs significantly slowing down sol-gel reactions. A method was developed which provides phosphonium-based, pyridinium-based, and imidazolium-based IL-mediated advanced sol-gel organic-inorganic hybrid materials for capillary microextraction. Scanning electron microscopy results demonstrate that ILs can serve as porogenic agents in sol-gel reactions. IL-mediated sol-gel coatings prepared with silanol-terminated polymers provided up to 28 times higher extractions compared to analogous sol-gel coatings prepared without any IL in the sol solution. This study shows that IL-generated porous morphology alone is not enough to provide effective extraction media: careful choice of the organic polymer and the precursor with close sol-gel reactivity must be made to ensure effective chemical bonding of the organic polymer to the created sol-gel material to be able to provide the desired sorbent characteristics.