pentaerythritol tetra(2-hydroxypropyl-3-piperazine) | 893411-77-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: pentaerythritol tetra(2-hydroxypropyl-3-piperazine)
• 英文别名: 1-[3-(2-Hydroxy-3-piperazin-1-ylpropoxy)-2,2-bis[(2-hydroxy-3-piperazin-1-ylpropoxy)methyl]propoxy]-3-piperazin-1-ylpropan-2-ol
• CAS: 893411-77-3
• 化学式: C₃₃H₆₈N₈O₈
• 分子量: 704.952
• InChiKey: MTZWHEUNEAFXPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.2
• 重原子数：
  49
• 可旋转键数：
  24
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  179
• 氢给体数：
  8
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  pentaerythritol tetra(2-hydroxypropyl-3-piperazine) 、 季戊四醇缩水甘油醚 在 potassium carbonate 作用下， 以 水 为溶剂， 反应 48.17h， 以64.5%的产率得到1-[2-[[2-Hydroxy-3-[4-[2-hydroxy-3-[3-[2-hydroxy-3-[4-[2-hydroxy-3-[3-(2-hydroxy-3-piperazin-1-ylpropoxy)-2,2-bis[(2-hydroxy-3-piperazin-1-ylpropoxy)methyl]propoxy]propyl]piperazin-1-yl]propoxy]-2,2-bis[[2-hydroxy-3-[4-[2-hydroxy-3-[3-(2-hydroxy-3-piperazin-1-ylpropoxy)-2,2-bis[(2-hydroxy-3-piperazin-1-ylpropoxy)methyl]propoxy]propyl]piperazin-1-yl]propoxy]methyl]propoxy]propyl]piperazin-1-yl]propoxy]methyl]-3-(2-hydroxy-3-piperazin-1-ylpropoxy)-2-[(2-hydroxy-3-piperazin-1-ylpropoxy)methyl]propoxy]-3-piperazin-1-ylpropan-2-ol
  参考文献：
  名称：

  [EN] DENDRITIC POLYMERS WITH ENHANCED AMPLIFICATION AND INTERIOR FUNCTIONALITY
  [FR] POLYMERES DENDRITIQUES AVEC FONCTIONNALITE INTERIEURE ET AMPLIFICATION RENFORCEES

  摘要：

  公开号：

  WO2006115547A3
• 作为产物：
  描述：

  pentaerythritol tetra(2-hydroxy-3-piperazine-N-ethyl carboxylate) 在 氢氧化钾 作用下， 以 甲醇 、 水 为溶剂， 以90%的产率得到pentaerythritol tetra(2-hydroxypropyl-3-piperazine)
  参考文献：
  名称：

  [EN] DENDRITIC POLYMERS WITH ENHANCED AMPLIFICATION AND INTERIOR FUNCTIONALITY
  [FR] POLYMERES DENDRITIQUES AVEC FONCTIONNALITE INTERIEURE ET AMPLIFICATION RENFORCEES

  摘要：

  公开号：

  WO2006115547A3

文献信息

• DIVERGENT SYNTHESIS OF LOOPED POLY(ESTER)-AND POLY(ETHER)-SUBSTITUTED DENDRONS AND DENDRIMERS
  申请人：Tomalia Donald A.

  公开号：US20100086482A1

  公开（公告）日：2010-04-08

  The present invention describes a process for preparing new looped dendrimer and dendron compounds by controlling the molar amount of branch cell reagent monomer that is combined with various cores bearing core-XR functionalities (e.g., primary, or secondary amines, thiol, or epoxy functionalities). These looped, macrocyclic structures are more robust to various conditions, with greater resistance to acid/base hydrolysis. Alternatively, the looped, macrocyclic structure may offer new orientations that would qualify it as a better chelation ligand for metals, and other similar uses.

  本发明描述了一种通过控制与带有核心-XR功能基团（例如，主要或次要胺基，硫醇或环氧基团）的各种核心结构相结合的支链细胞试剂单体的摩尔量来制备新的环形树状分子和树状化合物的过程。这些环形的大环结构在各种条件下更加稳健，对酸碱水解有更强的抵抗力。另外，这种环形的大环结构可能提供新的取向，使其成为更好的金属螯合配体以及其他类似用途的合适选择。
• 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：EP1737899B1

  公开（公告）日：2015-07-08
• 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.