HI-6 | 124051-64-5

• 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
• 英文名称: HI-6
• 英文别名: (Z)-1-(((4-Carbamoylpyridin-1-ium-1-yl)methoxy)methyl)-2-((hydroxyimino)methyl)pyridin-1-ium；1-[[2-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-carboxamide
• CAS: 124051-64-5
• 化学式: C₁₄H₁₆N₄O₃
• 分子量: 288.306
• InChiKey: FJZDLOMCEPUCII-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  92.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  沙林 、 HI-6 以 水 为溶剂， 生成
  参考文献：
  名称：

  重新审视肟酸α-亲核试剂与亲电性磷中心的反应性。在温和条件下与沙林，梭曼和DFP的解毒有关。

  摘要：

  电位计确定（R1R2）C = NOH官能度的相关pKa值后，使大量肟酸碱与两种模型有机磷酸酯即bis-（4 -硝基苯基）苯基膦酸酯（BNPPP）和双-（4-硝基苯基）甲基膦酸酯（BNPMP），以及三种有毒化合物，即沙林（GB），梭曼（GD）和氟磷酸二异丙酯（DFP），以及30：已测量到70（v / v）的H2O-Me2SO混合物。log k（Ox）vs的相应Bronsted型亲核图。pKa（Ox）揭示了明显的趋势，即肟酸的反应性会随着水溶液中碱度的增加而遭受饱和作用。对于BNPMP和三种有毒酯，这种行为反映在pKa约为9时趋于平稳，但在BNPPP系统中则存在更为戏剧化的情况，其中在pKa约为9时达到最大反应性，随后在较高pKa时速率明显下降。有趣的是，以前由沙林，梭曼和DFP系统的不同作者所报告的许多数据都非常符合我们的数据所建立的曲线布朗斯泰德相关性。根据在碳中心反应获得的该结果和先前的

  DOI：

  10.1039/b609658c

文献信息

• Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients
  申请人：Rogers D. Robin

  公开号：US20070093462A1

  公开（公告）日：2007-04-26

  Disclosed are ionic liquids and methods of preparing ionic liquid compositions of active pharmaceutical, biological, nutritional, and energetic ingredients. Also disclosed are methods of using the compositions described herein to overcome polymorphism, overcome solubility and delivery problems, to control release rates, add functionality, enhance efficacy (synergy), and improve ease of use and manufacture.

  揭示了离子液体及制备活性药物、生物、营养和能量成分的离子液体组合物的方法。还揭示了利用本文描述的组合物的方法，以克服多型性、克服溶解度和输送问题、控制释放速率、增加功能性、增强功效（协同作用）以及改善易用性和制造工艺。
• Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients
  申请人：Rogers Robin D.

  公开号：US20120264605A1

  公开（公告）日：2012-10-18

  Disclosed are ionic liquids and methods of preparing ionic liquid compositions of active pharmaceutical, biological, nutritional, and energetic ingredients. Also disclosed are methods of using the compositions described herein to overcome polymorphism, overcome solubility and delivery problems, to control release rates, add functionality, enhance efficacy (synergy), and improve ease of use and manufacture.

  本发明涉及离子液体和制备含有活性制药、生物、营养和能量成分的离子液体组合物的方法。同时，本发明还涉及使用所述组合物的方法，以克服多晶性、克服溶解度和输送问题、控制释放速率、增加功能、增强功效（协同作用）和改善使用和制造的便利性。
• Process for halomethyl ethers of hydroxyiminomethyl quaternary pyridinium salts
  申请人：Ampac Fine Chemicals LLC

  公开号：EP1886995A1

  公开（公告）日：2008-02-13

  A halide salt of a 1-(hydroxyiminomethyl-1-pyridino)-3-(halomethyl)-2-oxapropane is prepared by adding a pyridinealdoxime to a bis-halomethylether in such a manner that the bis-halomethylether is maintained in excess throughout the addition. This procedure produces the halide salt of a 1-(hydroxyiminomethyl-1-pyridino)-3-(halomethyl)-2-oxapropane in high yield and purity, which facilitates its use as an intermediate in the manufacture of an asymmetrically substituted 1,3-di (1-pyridino)-2-oxapropane, a class of compounds that are generally useful antidotes to various toxic agents. A prominent member of the class is the dimethylsulfonate salt of 1-(2-hydroxyiminomethyl-1-pyridino)-3-(4-carbamoyl-1-pyridino)-2-oxapropane. The use of mercaptoalkyl-functionalized polymers is disclosed as a preferred metal ion scavenger for a final purification step in the manufacture of these compounds.

  1- (羟基亚氨基甲基-1-吡啶基)-3-(卤代甲基)-2-氧代丙烷的卤化物盐是通过向双卤代甲基醚中加入吡啶醛肟，使双卤代甲基醚在整个加入过程中保持过量的方式制备的。通过这种方法可以制得 1-（羟基亚氨基甲基-1-吡啶基）-3-（卤代甲基）-2-氧代丙烷的卤化物盐，产率和纯度都很高，有利于将其作为中间体用于生产不对称取代的 1,3-二（1-吡啶基）-2-氧代丙烷。这类化合物中的一个主要成分是 1-(2-羟基亚氨基甲基-1-吡啶)-3-(4-氨基甲酰基-1-吡啶)-2-氧代丙烷的二甲基磺酸盐。巯基烷基官能化聚合物作为一种优选的金属离子清除剂，被公开用于这些化合物生产过程中的最后纯化步骤。
• BIOSENSOR
  申请人：University Of Leeds

  公开号：EP2176654B1

  公开（公告）日：2017-03-22
• PROCESS FOR HALOMETHYL ETHERS OF HYDROXYIMINOMETHYL QUATERNARY PYRIDINIUM SALTS
  申请人：Huang Der-Shing

  公开号：US20080275246A1

  公开（公告）日：2008-11-06

  A halide salt of a 1-(hydroxyiminomethyl-1-pyridino)-3-(halomethyl)-2-oxapropane is prepared by adding a pyridinealdoxime to a bis-halomethylether in such a manner that the bis-halomethylether is maintained in excess throughout the addition. This procedure produces the halide salt of a 1-(hydroxyiminomethyl-1-pyridino)-3-(halomethyl)-2-oxapropane in high yield and purity, which facilitates its use as an intermediate in the manufacture of an asymmetrically substituted 1,3-di(1-pyridino)-2-oxapropane, a class of compounds that are generally useful antidotes to various toxic agents. A prominent member of the class is the dimethylsulfonate salt of 1-(2-hydroxyiminomethyl-1-pyridino)-3-(4-carbamoyl-1-pyridino)-2-oxapropane. The use of mercaptoalkyl-functionalized polymers is disclosed as a preferred metal ion scavenger for a final purification step in the manufacture of these compounds.