1-isopropyl-pyridinium | 52700-12-6

• 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: 1-isopropyl-pyridinium
• 英文别名: N-Isopropyl-pyridinium；1-Propan-2-ylpyridin-1-ium
• CAS: 52700-12-6
• 化学式: C₈H₁₂N
• 分子量: 122.19
• InChiKey: DWRVKCFZZJZSJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  3.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  吡啶 、 甲磺酸异丙酯 在 phosphate buffer 作用下， 以 丙酮 为溶剂， 生成 1-isopropyl-pyridinium
  参考文献：
  名称：

  Studies on chemical carcinogens and mutagens. XXXII. Chemoselectivity of alkylating agents toward pyridine in aqueous media - A simple procedure for evaluation of Swain-Scott's substrate constants.

  摘要：

  本文提出了一种评估烷化剂在水介质中对吡啶的化学选择性的简单方法。该分析方法包括评估吡啶在水性缓冲液（pH 值为 6.0）中的相对季铵化速率和水解速率，即评估在含有大量过量吡啶的磷酸盐缓冲液中，给定烷化剂对吡啶的氮功能和氧功能进行竞争性亲核攻击时对吡啶的化学选择性。Spy 一词暂时定义为 log {(N/(1-N))×[H2O]/[py]}，其中 N 是在完全消耗给定的烷化剂后吡啶季铵化所消耗的摩尔分数，[H2O]和[py]分别是水和吡啶的浓度。在 37°C 含 4% 丙酮的 1/15 M 磷酸盐缓冲液（pH 值为 6.0）中，Spy 与 Swain 和 Scott 定义的底物常数（s）呈线性相关：s=0.163Spy+0.209（r=0.995，n=8）。本文简要讨论了化学选择性与反应温度和介质中丙酮含量的关系。

  DOI：

  10.1248/cpb.33.5207

文献信息

• ORGANIC ELECTRONIC MATERIAL, POLYMERIZATION INITIATOR AND THERMAL POLYMERIZATION INITIATOR, INK COMPOSITION, ORGANIC THIN FILM AND PRODUCTION METHOD FOR SAME, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHTING DEVICE, DISPLAY ELEMENT, AND DISPLAY DEVICE
  申请人：Ishitsuka Kenichi

  公开号：US20130037753A1

  公开（公告）日：2013-02-14

  Disclosed is an organic electronic material comprising charge transporting compounds and ionic compounds having electron-accepting properties and high solubility in a solvent. The organic electronic material is characterized by comprising charge transporting compounds and ionic compounds, and in that at least one of the ionic compounds is any one kind of compounds represented by general formulas (1b)-(3b). (In the formulas Y 1 -Y 6 each independently represent a divalent linking group, R 1 -R 6 each independently represent an electron-attracting organic substituent (these structures can further have substituents and hetero-atoms, and R 1 , R 2 and R 3 , or, R 4 -R 6 can respectively combine and become a ring shape or a polymer shape) and L + represents a monovalent cation.)

  本文揭示了一种有机电子材料，包括具有电荷传输化合物和具有接受电子性质且在溶剂中具有高溶解度的离子化合物。该有机电子材料的特点在于包括电荷传输化合物和离子化合物，并且至少其中一个离子化合物是由通用式（1b）-（3b）表示的化合物中的任意一种。（在式中，Y1-Y6分别表示二价连接基团，R1-R6分别表示吸引电子的有机取代基（这些结构可以进一步具有取代基和杂原子，且R1、R2和R3，或者R4-R6可以分别结合形成环状或聚合物形状），L+表示一价阳离子。）
• Novel perfluoroalkanesulfonamide compounds
  申请人：Umemoto Teruo

  公开号：US20070093678A1

  公开（公告）日：2007-04-26

  The present invention provides compounds represented by the formula Y +− N(SO 2 R f )(CF 3 ). Such a compound can be manufactured through a reaction between M +− N(SO 2 R f )(CF 3 ) and Y +− B. The present invention also provides compounds represented by the formula Y +− N(SO 2 R f )(CN). Such a compound can be manufactured through a reaction between M +− N(SO 2 R f )(CN) and Y +− B. R f in the above formulae is a perfluoroalkyl group. Y + is an organic or inorganic cation. − B is an organic or inorganic anion. M + is an alkali metal cation or a silver cation.

  本发明提供了以下公式表示的化合物Y+−N(SO2Rf)(CF3)。这样的化合物可以通过M+−N(SO2Rf)(CF3)和Y+−B之间的反应制造。本发明还提供了以下公式表示的化合物Y+−N(SO2Rf)(CN)。这样的化合物可以通过M+−N(SO2Rf)(CN)和Y+−B之间的反应制造。上述公式中的Rf是全氟烷基。Y+是有机或无机阳离子。−B是有机或无机阴离子。M+是碱金属阳离子或银阳离子。
• [EN] ELECTROLYTE FORMULATIONS CONTAINING CYANO-ALKOXY-BORATE ANIONS<br/>[FR] FORMULATIONS D'ÉLECTROLYTE CONTENANT DES ANIONS CYANO-ALCOXY-BORATE
  申请人：MERCK PATENT GMBH

  公开号：WO2012041434A1

  公开（公告）日：2012-04-05

  The present invention relates to electrolyte formulations containing cyano-alkoxy-borate anions, their preparation and their use, in particular as part of electrolyte formulations for electrochemical or optoelectronic devices and special compounds containing cyano-alkoxy-borate anions.

  本发明涉及含有氰基-烷氧基-硼酸盐阴离子的电解质配方，其制备和使用，特别是作为电化学或光电子器件电解质配方的一部分以及含有氰基-烷氧基-硼酸盐阴离子的特殊化合物。
• COMPOUNDS CONTAINING PERFLUOROALKYL-CYANO-ALKOXY-BORATE ANIONS OR PERFLUOROALKYL-CYANO-ALKOXY-FLUORO-BORATE ANIONS
  申请人：Shinohara Hiromi

  公开号：US20120296096A1

  公开（公告）日：2012-11-22

  The present invention relates to compounds containing perfluoroalkyl-cyano-alkoxy-borate anions or perfluoroalkyl-cyano-alkoxy-fluoro-borate anions, ((per)fluoro)phenyl-cyano-alkoxy-borate anions or ((per)fluoro)phenyl-cyano-alkoxy-fluoro-borate anions or phenyl-cyano-alkoxy-borate anions which are monosubstituted or disubstituted with perfluoroalkyl groups having 1 to 4 C atoms or phenyl-cyano-alkoxy-fluoro-borate anions which are monosubstituted or disubstituted with perfluoroalkyl groups having 1 to 4 C atoms, the preparation thereof and the use thereof, in particular as part of electrolyte formulations for dye sensitized solar cells.

  本发明涉及含有全氟烷基-氰基-烷氧基-硼酸根离子或全氟烷基-氰基-烷氧基-氟硼酸根离子、（全氟）苯基-氰基-烷氧基-硼酸根离子或（全氟）苯基-氰基-烷氧基-氟硼酸根离子或苯基-氰基-烷氧基-硼酸根离子，该根离子经过单取代或双取代，取代基为含有1至4个碳原子的全氟烷基或经过单取代或双取代，取代基为含有1至4个碳原子的苯基-氰基-烷氧基-氟硼酸根离子的化合物，以及其制备和用途，特别是作为染料敏化太阳能电池电解质配方的一部分。
• [EN] COMPOUNDS CONTAINING PERFLUOROALKYL-CYANO-ALKOXY-BORATE ANIONS OR PERFLUOROALKYL-CYANO-ALKOXY-FLUORO-BORATE ANIONS<br/>[FR] COMPOSÉS CONTENANT DES ANIONS PERFLUOROALKYL-CYANO-ALCOXY-BORATES OU DES ANIONS PERFLUOROALKYL-CYANO-ALCOXY-FLUORO-BORATES
  申请人：MERCK PATENT GMBH

  公开号：WO2011085967A1

  公开（公告）日：2011-07-21

  The present invention relates to compounds containing perfluoroalkyl-cyano-alkoxy-borate anions or perfluoroalkyl-cyano-alkoxy-fluoro-borate anions, ((per)fluoro)phenyl-cyano-alkoxy-borate anions or ((per)fluoro)phenyl-cyano-alkoxy-fluoro-borate anions or phenyl-cyano-alkoxy-borate anions which are monosubstituted or disubstituted with perfluoroalkyl groups having 1 to 4 C atoms or phenyl-cyano-alkoxy-fluoro-borate anions which are monosubstituted or disubstituted with perfluoroalkyl groups having 1 to 4 C atoms, the preparation thereof and the use thereof, in particular as part of electrolyte formulations for dye sensitized solar cells.

  本发明涉及含有全氟烷基-氰基-烷氧基硼酸根离子或全氟烷基-氰基-烷氧基-氟硼酸根离子、（全氟）苯基-氰基-烷氧基硼酸根离子或（全氟）苯基-氰基-烷氧基-氟硼酸根离子或苯基-氰基-烷氧基硼酸根离子，其单取代或双取代具有1至4个碳原子的全氟烷基基团或单取代或双取代具有1至4个碳原子的苯基-氰基-烷氧基-氟硼酸根离子的化合物，以及其制备和用途，特别是作为染料敏化太阳能电池的电解质配方的一部分。