甲基-2-[甲基(4-吡啶)二硫代碳酸酯]丙酸酯 | 1158958-92-9

• 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: 甲基-2-[甲基(4-吡啶)二硫代碳酸酯]丙酸酯
• 中文别名: N-(4-吡啶基)-N-甲基二硫代氨基甲酸甲基-2-丙酸；甲基-2-丙酸甲基(4-吡啶)氨基二硫代甲酸酯
• 英文名称: methyl 2-(methyl(pyridin-4-yl)carbamothioylthio)propanoate
• 英文别名: Methyl 2-{[methyl(pyridin-4-yl)carbamothioyl]sulfanyl}propanoate；methyl 2-[methyl(pyridin-4-yl)carbamothioyl]sulfanylpropanoate
• CAS: 1158958-92-9
• 化学式: C₁₁H₁₄N₂O₂S₂
• 分子量: 270.376
• InChiKey: LOGGAKBRSDSFSB-UHFFFAOYSA-N

物化性质

• 熔点：
  76-81°C

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  99.8
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  甲基-2-[甲基(4-吡啶)二硫代碳酸酯]丙酸酯 以 二苯醚 为溶剂， 生成 N,2-dimethyl-3-oxo-N-(pyridin-4-yl)thiirane-2-carbothioamide
  参考文献：
  名称：

  热稳定性对RAFT / MADIX试剂分子结构的依赖性：动力学和机理研究

  摘要：

  通过在溶液中加热，研究了不同种类的RAFT / MADIX试剂，即二硫代酸酯，三硫代碳酸酯，黄原酸酯和二硫代氨基甲酸酯的热分解。发现分解行为是稳定Z-基团和离开R-基团的作用之间复杂的相互作用。分解的机理主要通过三种途径，即β-消除，α-消除和二硫代氨基甲酸酯的均质化（特别是对于通用RAFT剂而言）。最重要的途径是具有β-氢的硫代羰基硫化合物的β-消除，导致形成不饱和物质。对于仅含有α-氢的离去基团（例如苄基），发生α消除，导致形成（E碳烯通过卡宾中间体形成。特别是在通用RAFT剂的情况下发生均解，其中产生硫代羰基和烷硫基，最后通过自由基过程形成硫代内酯。通过测量热分解反应的表观动力学和活化能来研究RAFT / MADIX试剂的稳定性。Z-基团和R-基团均通过电子和空间效应影响试剂的稳定性。Z-基的给电子异原子对显示出显着的稳定作用，而Z-或R-基中的吸电子取代基则趋于使试剂不稳定。另外，

  DOI：

  10.1021/ma201570f
• 作为产物：
  描述：

  4-甲氨基吡啶 、 二硫化碳 、 2-溴丙酸甲酯 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.25h， 以85.4%的产率得到甲基-2-[甲基(4-吡啶)二硫代碳酸酯]丙酸酯
  参考文献：
  名称：

  Benaglia, Massimo; Chiefari, John; Chong, Yen K., Journal of the American Chemical Society, 2009, vol. 131, p. 6914 - 6915

  摘要：

  DOI：

文献信息

• Polymeric prodrugs and subcutaneous and/or intramuscular administration thereof
  申请人：CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE

  公开号：US20200353090A1

  公开（公告）日：2020-11-12

  The invention relates to new prodrugs of active molecules. These prodrugs allow, in particular, the subcutaneous or intramuscular administration of active molecules of which the subcutaneous or intramuscular administration is problematic or impossible, in particular because of the toxicity at the injection site. The prodrugs according to the invention comprise an active ingredient, covalently linked with a polymer chain, preferably a hydrophilic and/or thermosensitive polymer chain. The invention relates, in particular, to polymeric prodrugs comprising a polymer chain formed at least in part by acrylamide monomer or one of its derivatives, the polymer comprising a proximal part and a terminal part; a first pharmaceutically active molecule covalently coupled to the proximal part of the polymer; possibly a second pharmaceutically active molecule covalently coupled to the terminal part of the polymer.

  该发明涉及新型活性分子的前药。这些前药允许特别是将活性分子皮下或肌肉内注射，而这些活性分子的皮下或肌肉内注射由于在注射部位的毒性而具有问题或不可能，特别是由于在注射部位的毒性。根据本发明的前药包括一种活性成分，与一根聚合物链共价连接，优选为一种亲水性和/或热敏感性聚合物链。该发明特别涉及包括由丙烯酰胺单体或其衍生物之一至少部分形成的聚合物链的聚合物前药，该聚合物包括一个近端部分和一个末端部分；第一种药用活性分子共价结合到聚合物的近端部分；可能第二种药用活性分子共价结合到聚合物的末端部分。
• Polymerizable sulfonamide compounds and polymers thereof
  申请人：Massachusetts Institute of Technology

  公开号：US11155674B2

  公开（公告）日：2021-10-26

  Methods, compositions, reagents, and systems that allow for the preparation and utilization of sulfonamide salt polymer electrolytes are disclosed herein. Methods and reagents to prepare sulfonamide salt monomers are also disclosed herein. The sulfonamide salt polymer electrolytes can be used as components in energy storage devices, conductive materials, electrochemical cells, gels, adhesives, and drug delivery vehicles.

  本文公开了允许制备和利用磺胺盐聚合物电解质的方法、组合物、试剂和系统。本文还公开了制备磺胺盐单体的方法和试剂。磺胺盐聚合物电解质可用作能量存储设备、导电材料、电化学电池、凝胶、粘合剂和药物输送载体中的组件。
• RAFT POLYMERISATION
  申请人：Rizzardo Ezio

  公开号：US20120004381A1

  公开（公告）日：2012-01-05

  A method of preparing polymer, the method comprising polymerising one or more ethylenically unsaturated monomers of formula (I) where U is selected from H, C 1 -C 4 alkyl or halogen; V is halogen or of the form O-G where G is selected from —C(O)R 1 and —R 1 , or V is of the form NGG a where G is as defined above and G a is selected from H and R 1 , G and G a form together with N a heterocyclic ring, or V is of the form CH 2 G b where G b is selected from H, R 1 , OH, OR 1 , NR 1 2 , PR 1 2 , P(O)R 1 2 , P(OR 1 ) 2 , SR 1 , SOR 1 , and SO 2 R 1 ; and where the or each R 1 is independently selected from optionally substituted alkyl, optionally substituted alkenyl, optionally substituted alkynyl, optionally substituted aryl, optionally substituted heteroaryl, optionally substituted carbocyclyl, optionally substituted heterocyclyl, optionally substituted arylalkyl, optionally substituted heteroarylalkyl, optionally substituted alkylaryl, optionally substituted alkylheteroaryl, and an optionally substituted polymer chain, under the control of a RAFT agent of formula (II) or (III), where Y is a Lewis base moiety and Y* is an n-valent Lewis base moiety; X is O or NR 1 , R 1 is as defined above or forms together with Y or Y* and N a heterocyclic ring; m is an integer ≧1; n is an integer ≧2; and where R* is a m-valent radical leaving group that affords R*. which initiates free radical polymerisation of the one or more ethylenically unsaturated monomers of formula (I), and R is a free radical leaving group that affords R. which initiates free radical polymerisation of the one or more ethylenically unsaturated monomers of formula (I).

  一种制备聚合物的方法，该方法包括聚合一个或多个具有化学式（I）的乙烯基不饱和单体，其中U选择自H，C1-C4烷基或卤素; V为卤素或形式为O-G的形式，其中G选择自—C（O）R1和—R1，或V为形式为NGGa的形式，其中G如上所定义，Ga选择自H和R1，G和Ga与N一起形成杂环环，或V为形式为CH2Gb的形式，其中Gb选择自H，R1，OH，OR1，NR12，PR12，P（O）R12，P（OR1）2，SR1，SOR1和SO2R1;其中每个R1是独立选择自可选取代烷基，可选取代烯基，可选取代炔基，可选取代芳基，可选取代杂芳基，可选取代碳环烷基，可选取代杂环烷基，可选取代芳基烷基，可选取代杂芳基烷基，可选取代烷基芳基，可选取代烷基杂芳基和可选取代聚合物链，受公式（II）或（III）的RAFT试剂的控制，其中Y是路易斯碱基团，Y *是n价路易斯碱基团; X为O或NR1，R1如上所定义或与Y或Y *和N一起形成杂环环; m为整数≧1; n为整数≧2;其中R *是m价基团离去基团，提供R *，其引发具有化学式（I）的一个或多个乙烯基不饱和单体的自由基聚合，R是自由基离去基团，提供R，其引发具有化学式（I）的一个或多个乙烯基不饱和单体的自由基聚合。
• ALKENYL ETHER-VINYL ESTER COPOLYMER
  申请人：Maruzen Petrochemical Co., Ltd.

  公开号：EP3296333A1

  公开（公告）日：2018-03-21

  To provide a temperature responsive polymer that has an arbitrary LCST in a wide temperature range of from a low temperature range of body temperature or room temperature to a high temperature range of 80°C or more, and to provide a method capable of providing the polymer easily. An alkenyl ether-vinyl ester copolymer containing a repeating unit derived from a hydroxyl group-containing alkenyl ether represented by the formula (1), and a repeating unit derived from a vinyl ester represented by the formula (2), and exhibiting temperature responsiveness showing a change in hydrophilicity and hydrophobicity at a prescribed temperature as a critical point, and the alkenyl ether-vinyl ester copolymer that has a lower critical solution temperature to water of from 1°C to 99°C: wherein R1, R2, and R3 each independently represent a hydrogen atom or an alkyl group having a number of carbon atoms of from 1 to 4; R4 represents a linear or branched alkylene group having a number of carbon atoms of from 2 to 4; R5 represents an acyl group having a number of carbon atoms of from 1 to 20; and p represents an integer of from 1 to 3.

  提供一种温度响应性聚合物，该聚合物在从体温或室温的低温范围到 80°C 或更高的高温范围的宽温度范围内具有任意的 LCST，并提供一种能够轻松提供该聚合物的方法。一种烯基醚-乙烯基酯共聚物，其含有由式(1)表示的含羟基烯基醚衍生的重复单元和由式(2)表示的乙烯基酯衍生的重复单元，并具有温度响应性，在规定温度作为临界点时亲水性和疏水性发生变化，该烯基醚-乙烯基酯共聚物对水的临界溶液温度较低，为1℃至99℃： 其中 R1、R2 和 R3 各自独立地代表氢原子或碳原子数为 1 至 4 的烷基；R4 代表碳原子数为 2 至 4 的直链或支链亚烷基；R5 代表碳原子数为 1 至 20 的酰基；p 代表 1 至 3 的整数。
• POLYMERS AND NANOGEL MATERIALS AND METHODS FOR MAKING AND USING THE SAME
  申请人：Johnson & Johnson Vision Care, Inc.

  公开号：EP3296334A1

  公开（公告）日：2018-03-21

  Provided are articles such as medical devices which comprise at least one water soluble, crosslinked copolymer. The primary polymer chains of the copolymer are hydrophilic and independently have a degree of polymerization in the range of about 10 to about 10,000. The water soluble, crosslinked copolymers of the present invention are free from terminal substrate associating segments. The copolymers may be incorporated into a formulation from which the article is made or may be contacted with the article post-formation.

  本文所提供的物品，如医疗器械，包含至少一种水溶性交联共聚物。共聚物的主聚合物链是亲水性的，其聚合度在约 10 到约 10,000 之间。本发明的水溶性交联共聚物不含末端基质连接段。本发明的共聚物可以加入制造物品的配方中，也可以在物品成型后与之接触。