S-(2,6,7-trioxabicyclo[2.2.2]octan-4-ylmethyl) ethanethioate | 121226-09-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: S-(2,6,7-trioxabicyclo[2.2.2]octan-4-ylmethyl) ethanethioate
• CAS: 121226-09-3
• 化学式: C₈H₁₂O₄S
• 分子量: 204.247
• InChiKey: ZENZWXNPFPWARW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  70.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  S-(2,6,7-trioxabicyclo[2.2.2]octan-4-ylmethyl) ethanethioate 在 盐酸 、 potassium tert-butylate 作用下， 以 甲醇 、 乙二醇二甲醚 为溶剂， 反应 7.0h， 生成 3-[3-(3-Hydroxy-2,2-bis-hydroxymethyl-propylsulfanyl)-2,2-bis-(3-hydroxy-2,2-bis-hydroxymethyl-propylsulfanylmethyl)-propylsulfanyl]-2,2-bis-hydroxymethyl-propan-1-ol
  参考文献：
  名称：

  共价连接性和复杂性的当代调查。聚（硫醚）树状聚合物的发散合成。放大的，系谱定向的合成导致简并密集的状态

  摘要：

  使用预先形成的分支细胞试剂（BCR）以“遗传学指导的合成”（GDS）策略合成了一个新的聚（硫醚）树状聚合物（-PTE）家族。将双环原酸酯官能团引入分支细胞试剂（BCR）中，以暂时掩盖季戊四醇衍生的分支细胞，该分支细胞用于构建该新的树枝状聚合物家族的内部。这些具有多重性= 3（N b = 3）的BCR在多重性= 4（N c = 4）的启动器核心周围组织和放大。使引发剂核心季戊四醇四溴化物（N c = 4）与四当量的4-乙酰硫基甲基-2,6,7-三氧杂双环[2.2.2]辛烷（N b＝ 3）在碱的存在下，形成具有四个双环原酸酯基团的第一代。在通过甲苯磺酸酯中间体脱保护并转化为溴化物表面基团之后，形成了具有十二个双环原酸酯基团的第二代。出人意料的是，尝试在第三代水平上置换所有36个表面基团表明，只有三分之一的端基可以被取代。这些实验数据表明，该（N c＝ 4，N b＝ 3）型树状聚合物家族在第三代水平上表现出de

  DOI：

  10.1016/s0040-4020(97)00976-9
• 作为产物：
  描述：

  4-bromomethyl-2,6,7-trioxabicyclo[2.2.2]octane 、 potassium thioacetate 以 丙酮 为溶剂， 反应 1.0h， 以98%的产率得到S-(2,6,7-trioxabicyclo[2.2.2]octan-4-ylmethyl) ethanethioate
  参考文献：
  名称：

  共价连接性和复杂性的当代调查。聚（硫醚）树状聚合物的发散合成。放大的，系谱定向的合成导致简并密集的状态

  摘要：

  使用预先形成的分支细胞试剂（BCR）以“遗传学指导的合成”（GDS）策略合成了一个新的聚（硫醚）树状聚合物（-PTE）家族。将双环原酸酯官能团引入分支细胞试剂（BCR）中，以暂时掩盖季戊四醇衍生的分支细胞，该分支细胞用于构建该新的树枝状聚合物家族的内部。这些具有多重性= 3（N b = 3）的BCR在多重性= 4（N c = 4）的启动器核心周围组织和放大。使引发剂核心季戊四醇四溴化物（N c = 4）与四当量的4-乙酰硫基甲基-2,6,7-三氧杂双环[2.2.2]辛烷（N b＝ 3）在碱的存在下，形成具有四个双环原酸酯基团的第一代。在通过甲苯磺酸酯中间体脱保护并转化为溴化物表面基团之后，形成了具有十二个双环原酸酯基团的第二代。出人意料的是，尝试在第三代水平上置换所有36个表面基团表明，只有三分之一的端基可以被取代。这些实验数据表明，该（N c＝ 4，N b＝ 3）型树状聚合物家族在第三代水平上表现出de

  DOI：

  10.1016/s0040-4020(97)00976-9

文献信息

• Dendritic polymers with enhanced amplification and interior functionality
  申请人：Dendritic Nanotechnologies Inc.

  公开号：EP2325236A1

  公开（公告）日：2011-05-25

  Dendritic polymers of the macromolecular structure of Figur 1 are disclosed. The dendritic polymers have enhanced amplification and interior functionality. The dendritic polymers are made by use of fact, reactive ring-opening chemistry (or other fast reactions) combined with the use of branch cell reagents in a controlled manner to rapidly and precisely build dendritic structures with cleaner chemistry and often with single products. Additional benefits include lower excesses of regents, lower levels of dilution, higher capacity, more easily scaled to commercial dimensions, new ranges of materials, and lower cost. The compositions prepared have novel internal functionality, including increased thermal stability and no reverse Michael's reaction, and reach encapsulation surface densities at lower generations.

  图 1 公开了大分子结构的树枝状聚合物。树枝状聚合物具有更强的放大和内部功能。树枝状聚合物是通过使用事实、反应性开环化学（或其他快速反应），结合使用分支细胞试剂，以受控的方式快速、精确地构建树枝状结构，化学反应更纯净，通常只有单一产物。其他优点还包括：调节剂用量更少、稀释程度更低、容量更大、更容易扩展到商业规模、材料范围更广、成本更低。所制备的组合物具有新颖的内部功能性，包括热稳定性更高，不会发生迈克尔反向反应，并能在较低世代达到封装表面密度。
• DENDRITIC POLYMERS WITH ENHANCED AMPLIFICATION AND INTERIOR FUNCTIONALITY
  申请人：Dendritic Nanotechnologies, Inc.

  公开号：EP1737899A2

  公开（公告）日：2007-01-03
• EP1737899A4
  申请人：——

  公开号：EP1737899A4

  公开（公告）日：2008-03-05
• Dendritic Polymers with Enhanced Amplification and Interior Functionality
  申请人：Tomalia A. Donald

  公开号：US20070244296A1

  公开（公告）日：2007-10-18

  Poly(ester-acrylate) and poly(ester/epoxide) dendrimers. These materials can be synthesized by utilizing the so-called “sterically induced stoichiometric” principles. The preparation of the dendrimers is carried out by reacting precursor amino/polyamino-functional core materials with various branch cell reagents. The branch cell reagents are dimensionally large, relative to the amino/polyamino-initiator core and when reacted, produce generation=1 dendrimers directly in one step. There is also a method by which the dendrimers can be stabilized and that method is the reaction of the dendrimers with surface reactive molecules to pacify the reactive groups on the dendrimers.
• Dendritic Polymers With Enhanced Amplification and Interior Functionality
  申请人：Tomalia A. Donald

  公开号：US20070298006A1

  公开（公告）日：2007-12-27

  Dendritic polymers with enhanced amplification and interior functionality are disclosed. These dendritic polymers are made by use of fast, reactive ring-opening chemistry (or other fast reactions) combined with the use of branch cell reagents in a controlled way to rapidly and precisely build dendritic structures, generation by generation, with cleaner chemistry, often single products, lower excesses of reagents, lower levels of dilution, higher capacity method, more easily scaled to commercial dimensions, new ranges of materials, and lower cost. The dendritic compositions prepared have novel internal functionality, greater stability (e.g., thermal stability and less or no reverse Michael's reaction), and reach encapsulation surface densities at lower generations. Unexpectedly, these reactions of polyfunctional branch cell reagents with polyfunctional cores do not create cross-linked materials. Such dendritic polymers are useful as demulsifiers for oil/water emulsions, wet strength agents in the manufacture of paper, proton scavengers, polymers, nanoscale monomers, calibration standards for electron microscopy, making size selective membranes, and agents for modifying viscosity in aqueous formulations such as paint. When these dendritic polymers have a carried material associated with their surface and/or interior, then these dendritic polymers have additional properties for carrying materials due to the unique characteristics of the dendritic polymer, such as for drug delivery, transfection, and diagnostics.