acetic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine | 5153-64-0

• 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: acetic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
• CAS: 5153-64-0
• 化学式: C12H18N2O2
• 分子量: 222.28
• InChiKey: CPCNAMNNSLASDC-PPHPATTJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.94
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  53.4
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• [EN] NICOTINE SALTS, CO-CRYSTALS, AND SALT CO-CRYSTAL COMPLEXES<br/>[FR] SELS, CO-CRISTAUX, ET COMPLEXES DE CO-CRISTAUX DE SELS DE NICOTINE
  申请人：REYNOLDS TOBACCO CO R

  公开号：WO2015183801A1

  公开（公告）日：2015-12-03

  The invention provides certain nicotine salts, co-crystals, and salt co-crystals and provides novel polymorphic forms of certain nicotine salts. In particular, nicotine salts with mucic acid, 3,5-dihydroxybenzoic acid, and 2,3-dihydroxybenzoic acid, and crystalline polymorphic forms of nicotine 4-acetamidobenzoate, nicotine gentisate, and nicotine 1-hydroxy-2-naphthoate are described. The invention further provides methods of preparation and characterization of such nicotine salts, co-crystals, and salt co-crystals and polymorphic forms thereof. In addition, tobacco products, including smoking articles, smokeless tobacco products, and electronic smoking articles comprising nicotine salts, co-crystals, and/or salt co-crystals are also provided.

  该发明提供了某些尼古丁盐、共晶和盐共晶，并提供了某些尼古丁盐的新颖多形态形式。具体来说，描述了与粘酸、3,5-二羟基苯甲酸和2,3-二羟基苯甲酸结合的尼古丁盐，以及尼古丁4-乙酰氨基苯甲酸、尼古丁吉替酸和尼古丁1-羟基-2-萘酸的结晶多形态形式。该发明还提供了制备和表征这些尼古丁盐、共晶和盐共晶以及其多形态形式的方法。此外，还提供了含有尼古丁盐、共晶和/或盐共晶的烟草制品，包括吸烟物品、无烟烟草制品和电子吸烟物品。
• PROCESS FOR PREPARING RACEMIC NICOTINE
  申请人：Tian Guanghui

  公开号：US20140031554A1

  公开（公告）日：2014-01-30

  Provided is a process for preparing racemic nicotine from 1-methyl-3-nicotinoyl-2-pyrrolidone or a salt thereof using one-pot process. The process comprises the following steps: 1) in a reaction vessel, reacting 1-methyl-3-nicotinoyl-2-pyrrolidone or a salt thereof in the presence of a suitable solvent and a strong acid by heat; after the reaction is complete, cooling the same and adjusting the pH to 7-8 with alkali; and 2) directly adding a reductant into the above vessel, and after the reaction, purifying the product so as to obtain high purity racemic nicotine or a salt thereof.

  提供了一种使用一锅法从1-甲基-3-烟酰基-2-吡咯酮或其盐制备外消旋尼古丁的方法。该方法包括以下步骤：1）在反应釜中，在适当的溶剂和强酸存在下通过加热反应1-甲基-3-烟酰基-2-吡咯酮或其盐；反应完成后，冷却并用碱调节pH值至7-8；2）直接向上述釜中加入还原剂，在反应后，纯化产物以获得高纯度的外消旋尼古丁或其盐。
• Transdermal nicotine salt delivery system
  申请人：Gale M. Robert

  公开号：US20070082038A1

  公开（公告）日：2007-04-12

  A transdermal nicotine salt delivery system to an individual. The system has a high nicotine salt loading to effect therapeutic flux rate. Acrylate polymeric drug reservoir with the high nicotine salt dissolved therein provides desirable adhesive characteristics and effective transdermal therapeutic properties.

  一种递送尼古丁盐的贴片给个体的系统。该系统具有高浓度的尼古丁盐负荷，以产生治疗性通量速率。丙烯酸酯类药物储液槽中溶解了高浓度的尼古丁盐，提供了理想的粘附特性和有效的经皮治疗性能。
• NICOTINE SALTS, CO-CRYSTALS, AND SALT CO-CRYSTAL COMPLEXES
  申请人：R.J. Reynolds Tobacco Company

  公开号：US20150344456A1

  公开（公告）日：2015-12-03

  The invention provides certain nicotine salts, co-crystals, and salt co-crystals and provides novel polymorphic forms of certain nicotine salts. In particular, nicotine salts with mucic acid, 3,5-dihydroxybenzoic acid, and 2,3-dihydroxybenzoic acid, and crystalline polymorphic forms of nicotine 4-acetamidobenzoate, nicotine gentisate, and nicotine 1-hydroxy-2-naphthoate are described. The invention further provides methods of preparation and characterization of such nicotine salts, co-crystals, and salt co-crystals and polymorphic forms thereof. In addition, tobacco products, including smoking articles, smokeless tobacco products, and electronic smoking articles comprising nicotine salts, co-crystals, and/or salt co-crystals are also provided.

  本发明提供了某些尼古丁盐、共晶、盐共晶，并提供了某些尼古丁盐的新型多晶形式。具体而言，本发明描述了与粘酸、3,5-二羟基苯甲酸和2,3-二羟基苯甲酸共晶的尼古丁盐，以及尼古丁4-乙酰氨基苯甲酸盐、尼古丁吉替酸盐和尼古丁1-羟基-2-萘酸晶体多晶形式。本发明进一步提供了制备和表征这种尼古丁盐、共晶和盐共晶及其多晶形式的方法。此外，本发明还提供了含有尼古丁盐、共晶和/或盐共晶的烟草产品，包括吸烟物品、无烟烟草产品和电子吸烟物品。
• Improvements in or relating to the chemical analysis of tabacco or smoking related products
  申请人：IMPERIAL TOBACCO LIMITED

  公开号：EP0229709A2

  公开（公告）日：1987-07-22

  A method of determining in a discrete analyzer the total sugars content of a tobacco sample containing sucrose, glucose and fructose, comprises the steps of, converting the sucrose to glucose and fructose, enzymatically converting the glucose and fructose to glucose-6-phosphate in the presence of hexokinase, reacting the glucose-6-phosphate with nicotinamide-adenine dinucleotide in the presence of glucose-6-phosphate dehydrogenase to give reduced nicotinamide-adenine dinucleotide, the amount of reduced nicotinamide-adenine dinucleotide produced being directly proportional to the total sugars content of the sample, measuring the concentration of reduced nicotinamide-adenine dinucleotide in the sample, and generating a signal indicative of the concentration of reduced nicotinamide-adenine dinucleotide and hence of the total sugars content of the sample. Deactivation of enzymes by any cyanogen bromide that may be present is prevented by the addition of dithioerythritol to the reaction mixture.

  一种在离散分析仪中测定含有蔗糖、葡萄糖和果糖的烟草样品中总糖含量的方法，包括以下步骤： 将蔗糖转化为葡萄糖和果糖、在己糖激酶的作用下，将葡萄糖和果糖酶促转化为葡萄糖-6-磷酸； 在葡萄糖-6-磷酸脱氢酶的作用下，将葡萄糖-6-磷酸与烟酰胺腺嘌呤二核苷酸反应，得到还原型烟酰胺腺嘌呤二核苷酸、产生的还原型烟酰胺-腺嘌呤二核苷酸的量与样品中的总糖含量成正比，测量样品中还原型烟酰胺-腺嘌呤二核苷酸的浓度，并产生指示还原型烟酰胺-腺嘌呤二核苷酸浓度的信号，从而指示样品中的总糖含量。在反应混合物中加入二硫赤藓糖醇可防止可能存在的溴化氰使酶失活。