methyl-4-vinylpyridinium cation | 45708-68-7

• 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: methyl-4-vinylpyridinium cation
• 英文别名: 1-methyl-4-vinyl-pyridinium；1-Methyl-4-vinylpyridinium；N-Methyl-4-vinylpyridinium；4-ethenyl-1-methylpyridin-1-ium
• CAS: 45708-68-7
• 化学式: C₈H₁₀N
• 分子量: 120.174
• InChiKey: AJWDVSJQPIRAKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  3.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  4-二甲氨基吡啶 、 methyl-4-vinylpyridinium cation 在 hydroxide 水 作用下， 生成 N,N-dimethyl-1-[2-(1-methylpyridin-1-ium-4-yl)ethyl]pyridin-1-ium-4-amine
  参考文献：
  名称：

  Rate-determining steps in Michael-type additions and E1cb reactions in aqueous solution

  摘要：

  Rates of equilibration of a series of 10 substituted pyridines and five Michael acceptors (CH2=CHZ, Z = CHO, COCH3, SO2CH3, CN, and CONH2) with the corresponding N(ZCH2CH2) pyridinium cations have been measured in aqueous solution at ionic strength 0.1 and 25-degrees-C. Analysis of the dependence of the pseudo-first-order rate constants for equilibration as a function of acceptor concentration and of pH allows the evaluation of the second-order rate constants (k(Nu)) for the nucleophilic attack of each of these pyridines upon each of these acceptors and also the second-order rate constants (k(OH)) for the hydroxide ion catalyzed E1cb elimination reaction which is the microscopic reverse of each of these Michael-type addition reactions. Bronsted-type plots for each of these processes as a function of the basicity of the substituted pyridine are concave down for each of Z = CHO, COCH3, and CN and are consistent with a change from rate-determining nucleophilic attack for the more basic pyridines to rate-determining protonation of the carbanionic intermediate by a water molecule for less basic pyridines and the corresponding microscopic reverse processes in the elimination reactions. The "break" in these Bronsted-type plots is shown to occur at a pyridine basicity that is a function of the Z-activating substituent. Bronsted beta-1g, and beta(nuc) are evaluated for each rate-determining step (wherever accessible); these two parameters are shown to pass through minima as a function of reactivity. beta(eq), is shown to be a simple linear function of reactivity (as log k(Nu)) for nucleophilic addition to the acceptor species, although K(eq) is relatively insensitive to the nature of the Z-activating substituent.

  DOI：

  10.1021/jo00039a013
• 作为产物：
  描述：

  N,N-dimethyl-1-[2-(1-methylpyridin-1-ium-4-yl)ethyl]pyridin-1-ium-4-amine 在 hydroxide 水 作用下， 生成 4-二甲氨基吡啶 、 methyl-4-vinylpyridinium cation
  参考文献：
  名称：

  Rate-determining steps in Michael-type additions and E1cb reactions in aqueous solution

  摘要：

  Rates of equilibration of a series of 10 substituted pyridines and five Michael acceptors (CH2=CHZ, Z = CHO, COCH3, SO2CH3, CN, and CONH2) with the corresponding N(ZCH2CH2) pyridinium cations have been measured in aqueous solution at ionic strength 0.1 and 25-degrees-C. Analysis of the dependence of the pseudo-first-order rate constants for equilibration as a function of acceptor concentration and of pH allows the evaluation of the second-order rate constants (k(Nu)) for the nucleophilic attack of each of these pyridines upon each of these acceptors and also the second-order rate constants (k(OH)) for the hydroxide ion catalyzed E1cb elimination reaction which is the microscopic reverse of each of these Michael-type addition reactions. Bronsted-type plots for each of these processes as a function of the basicity of the substituted pyridine are concave down for each of Z = CHO, COCH3, and CN and are consistent with a change from rate-determining nucleophilic attack for the more basic pyridines to rate-determining protonation of the carbanionic intermediate by a water molecule for less basic pyridines and the corresponding microscopic reverse processes in the elimination reactions. The "break" in these Bronsted-type plots is shown to occur at a pyridine basicity that is a function of the Z-activating substituent. Bronsted beta-1g, and beta(nuc) are evaluated for each rate-determining step (wherever accessible); these two parameters are shown to pass through minima as a function of reactivity. beta(eq), is shown to be a simple linear function of reactivity (as log k(Nu)) for nucleophilic addition to the acceptor species, although K(eq) is relatively insensitive to the nature of the Z-activating substituent.

  DOI：

  10.1021/jo00039a013

文献信息

• IONIC COMPOUND, COMPOSITION, CURED MATERIAL, HYDROGEL AND OPHTHALMIC LENS
  申请人：Satake Kohsuke

  公开号：US20130202551A1

  公开（公告）日：2013-08-08

  An ionic compound capable of providing a cured material having superior antibacterial property and oxygen permeability, and a composition containing the ionic compound, and a cured material, a hydro gel and an ophthalmic lens which have long-term sustainable antibacterial property and superior oxygen permeability. The ionic compound is represented by the following formula (1): In formula (1), P represents a polymerizable functional group. Q + represents a cationic group: Z represents an n-valent siloxanyl group in which the total atomic weight of a group of constituent atoms is no less than 70 and no greater than 1,000; X m− represents an m-valent anion; and n is an integer of 1 to 10, where provided that n is no less than 2, a plurality of P3 and Q + 3 are each independently as defined above.

  一种离子化合物，能够提供具有优越抗菌性能和氧透性的固化材料，以及含有该离子化合物的组合物，以及具有长期可持续抗菌性能和优越氧透性的固化材料、水凝胶和眼镜片。该离子化合物由以下式（1）表示： 在式（1）中，P代表可聚合的功能基团。Q + 代表阳离子基团：Z代表一个n价硅氧烷基团，其中构成原子的总原子量不小于70且不大于1,000；X m− 代表m价阴离子；n为1至10的整数，其中n不小于2时，多个P3和Q + 3分别独立定义如上所述。
• Particles for electrophoretic displays
  申请人：Merck Patent GmbH

  公开号：US10106686B2

  公开（公告）日：2018-10-23

  This invention relates to particles comprising a pigment core particle encapsulated by a polymer, a process for their preparation, electrophoretic fluids comprising such particles, and electrophoretic display devices comprising such fluids.

  这项发明涉及由聚合物封装的颜料核心颗粒组成的颗粒，其制备方法，包含这种颗粒的电泳流体，以及包含这种流体的电泳显示设备。
• CHROMATOGRAPHY MEMBRANES, DEVICES CONTAINING THEM, AND METHODS OF USE THEREOF
  申请人：Brellisford Damian

  公开号：US20170145053A1

  公开（公告）日：2017-05-25

  Described herein are fluid treatment devices for use in tangential flow filtration, comprising a housing unit and a composite material, wherein the composite material comprises: a support member comprising a plurality of pores extending through the support member; and a non-self-supporting macroporous cross-linked gel comprising macropores having an average size of 10 nm to 3000 nm, said macroporous gel being located in the pores of the support member. The invention also relates to a method of separating a substance from a fluid, comprising the step of placing the fluid in contact with an inventive device, thereby adsorbing or absorbing the substance to the composite material contained therein.

  本文描述了用于切向流过滤的流体处理装置，包括一个外壳单元和一个复合材料，其中复合材料包括：支撑成员，其包括穿过支撑成员的多个孔;以及非自支撑的大孔交联凝胶，其具有平均尺寸为10纳米至3000纳米的大孔，所述大孔凝胶位于支撑成员的孔中。本发明还涉及一种从流体中分离物质的方法，包括将流体与本发明的装置接触，从而将物质吸附或吸收到其中所含的复合材料中。
• Novel benzothiazepine and bensothiepine compounds
  申请人：Sasahara Takehiko

  公开号：US20070190041A1

  公开（公告）日：2007-08-16

  A pharmaceutical useful as a therapeutic agent and a preventive agent for hyperlipemia, and a pharmaceutical useful as a therapeutic agent and a preventive agent for hepatic disorders associated with cholestasis, particularly, primary biliary cirrhosis and primary sclerosing cholangitis, and a pharmaceutical useful as a therapeutic agent and a preventive agent for obesity, fatty liver and steatohepatitis are provided. A benzothiazepine or benzothiepine compound represented by the following formula (1A) having a thioamide bond and a quaternary ammonium substitutent:

  提供了一种药物，可用作治疗和预防高脂血症的治疗剂和预防剂，以及一种药物，可用作治疗和预防与胆汁淤积有关的肝脏疾病，特别是原发性胆汁性肝硬化和原发性硬化性胆管炎的治疗剂和预防剂，以及一种药物，可用作治疗和预防肥胖症、脂肪肝和脂肪性肝炎的治疗剂和预防剂。化合物的苯并噻吩或苯并噻环代表如下式（1A），具有硫酰胺键和季铵取代基：
• Novel quaternary ammonium compounds
  申请人：Sasahara Takehiko

  公开号：US20070203115A1

  公开（公告）日：2007-08-30

  A method for inhibiting ileal bile acid transporter activity in a subject, comprising administering to said subject an effective amount of a compound represented by formula (1):

  一种抑制回肠胆汁酸转运蛋白活性的方法，包括向该受试者施用一种由式（1）所代表的化合物的有效量：