5-hexadecyloxybenzene-1,3-dicarboxylic acid diethyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-hexadecyloxybenzene-1,3-dicarboxylic acid diethyl ester
• 英文别名: diethyl 5-hexadecyloxyisophthalate；diethyl 5-hexadecoxybenzene-1,3-dicarboxylate
• 化学式: C₂₈H₄₆O₅
• 分子量: 462.67
• InChiKey: IQTJLJROYWQVFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.1
• 重原子数：
  33
• 可旋转键数：
  22
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-hexadecyloxybenzene-1,3-dicarboxylic acid diethyl ester 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 以80%的产率得到1-hexadecyloxy-3,5-bis(hydroxymethyl)benzene
  参考文献：
  名称：

  Ionic conduction of lithium and magnesium salts within laminar arrays in a smectic liquid-crystal polymer electrolyte

  摘要：

  已合成了三种具有如下结构的聚合物，其中 R =–C16H33 或 –C12H25 且 n= 5 或 6（代码为 C16O5、C16O6 和 C12O6），以及它们与 LiClO4、LiBF4、LiCF3SO3、LiBr 和 Mg(ClO4)2 的配合物已经准备好了。 [图略] 使用热分析、偏光显微镜、小角度 (SAXS) 和广角 X 射线散射技术 (WAXS) 技术以及能量最小化建模，表明每个聚合物重复单元具有 0.5 mol 盐的配合物在侧链熔化温度以上形成近晶液晶结构[例如C16O5-LiClO4(1:1) 为 43.5 °C]。该盐与由烃层分隔的二维螺旋聚醚主链层络合。与传统聚合物电解质行为的预期相反，液晶相中锂盐配合物的离子电导率对于具有最广泛的二维组织的系统来说是最大的，并且遵循C16O5>C16O6>C12O6的顺序。 Mg(ClO4)2 与 C16O5 和 C16O6 的配合物在二维上类似地组织。结果表明，离子迁移率在聚醚层平面内最为广泛，并且没有证据表明存在通过碳氢化合物材料的“隧道效应”。

  DOI：

  10.1039/ft9969202599
• 作为产物：
  描述：

  5-羟基间苯二甲酸 在 硫酸 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 24.0h， 生成 5-hexadecyloxybenzene-1,3-dicarboxylic acid diethyl ester
  参考文献：
  名称：

  Ionic conduction of lithium and magnesium salts within laminar arrays in a smectic liquid-crystal polymer electrolyte

  摘要：

  已合成了三种具有如下结构的聚合物，其中 R =–C16H33 或 –C12H25 且 n= 5 或 6（代码为 C16O5、C16O6 和 C12O6），以及它们与 LiClO4、LiBF4、LiCF3SO3、LiBr 和 Mg(ClO4)2 的配合物已经准备好了。 [图略] 使用热分析、偏光显微镜、小角度 (SAXS) 和广角 X 射线散射技术 (WAXS) 技术以及能量最小化建模，表明每个聚合物重复单元具有 0.5 mol 盐的配合物在侧链熔化温度以上形成近晶液晶结构[例如C16O5-LiClO4(1:1) 为 43.5 °C]。该盐与由烃层分隔的二维螺旋聚醚主链层络合。与传统聚合物电解质行为的预期相反，液晶相中锂盐配合物的离子电导率对于具有最广泛的二维组织的系统来说是最大的，并且遵循C16O5>C16O6>C12O6的顺序。 Mg(ClO4)2 与 C16O5 和 C16O6 的配合物在二维上类似地组织。结果表明，离子迁移率在聚醚层平面内最为广泛，并且没有证据表明存在通过碳氢化合物材料的“隧道效应”。

  DOI：

  10.1039/ft9969202599

文献信息

• Polymer electrolyte complex
  申请人：Wright V. Peter

  公开号：US20070037061A1

  公开（公告）日：2007-02-15

  A polymer electrolyte being configured to provide ion transport, said polymer electrolyte comprising: a main-chain first repeating unit configured to provide a primary ion coordinating site, a plurality of main-chain repeating units being arranged as a substantially helical ion coordinating channel; said polymer electrolyte further comprising and being characterised by: a main-chain second repeating unit being interdispersed between said main-chain first repeating unit, said second repeating unit being configured to provide a secondary ion coordinating site within said coordinating channel, said secondary ion coordinating site being less coordinating then said primary ion coordinating site; wherein said polymer electrolyte is configured to provide ion transport within said coordinating channel involving ion transport between said primary ion coordinating site and said secondary ion coordinating site.

  一种聚合物电解质被配置为提供离子传输，该聚合物电解质包括：一个主链第一重复单元，用于提供主要离子配位位点，多个主链重复单元排列为基本螺旋离子配位通道；该聚合物电解质进一步包括并具有以下特征：一个主链第二重复单元被分散在所述主链第一重复单元之间，该第二重复单元被配置为在所述配位通道内提供次要离子配位位点，该次要离子配位位点比所述主要离子配位位点更少配位；其中，该聚合物电解质被配置为在所述配位通道内提供离子传输，涉及在所述主要离子配位位点和所述次要离子配位位点之间的离子传输。
• POLYMER ELECTROLYTE COMPLEX
  申请人：THE UNIVERSITY OF SHEFFIELD

  公开号：EP1623475A2

  公开（公告）日：2006-02-08
• Polymer electrolyte
  申请人：Wright V. Peter

  公开号：US20070009805A1

  公开（公告）日：2007-01-11

  A polymer based electrolyte complex being configured to provide ion transport, said complex comprising: a plurality of ion conducting polymers, each polymer of said plurality of polymers comprising an amphiphilic repeating unit, said polymers being arranged as a lattice of ionophobic repeating unit regions and ionophilic repeating unit channels, said channels being configured to provide ion transport; a first ionic bridge polymer positioned substantially between said lattice, said ionic bridge polymer being configured to allow ion transport between said ionophilic repeating unit channels of said lattice; said complex further comprising and being characterised by: a second ionic bridge polymer positioned substantially between said lattice, said second ionic bridge polymer being configured to allow ion transport between said ionophilic repeating unit channels of said lattice.
• [EN] POLYMER ELECTROLYTE COMPLEX<br/>[FR] ELECTROLYTE POLYMERE
  申请人：UNIV SHEFFIELD

  公开号：WO2004102692A2

  公开（公告）日：2004-11-25

  A polymer based electrolyte complex being configured to provide ion transport, said complex comprising: a plurality of ion conducting polymers, each polymer of said plurality of polymers comprising an amphiphilic repeating unit, said polymers being arranged as a lattice of ionophobic repeating unit regions and ionophilic repeating unit channels, said channels being configured to provide ion transport; a first ionic bridge polymer positioned substantially between said lattice, said ionic bridge polymer being configured to allow ion transport between said ionophilic repeating unit channels of said lattice; said complex further comprising and being characterised by: a second ionic bridge polymer positioned substantially between said lattice, said second ionic bridge polymer being configured to allow ion transport between said ionophilic repeating unit channels of said lattice.
• [EN] POLYMER ELECTROLYTE<br/>[FR] ELECTROLYTE POLYMERIQUE
  申请人：UNIV SHEFFIELD

  公开号：WO2004102693A2

  公开（公告）日：2004-11-25

  A polymer electrolyte being configured to provide ion transport, said polymer electrolyte comprising: a main-chain first repeating unit configured to provide a primary ion coordinating site, a plurality of main-chain repeating units being arranged as a substantially helical ion coordinating channel; said polymer electrolyte further comprising and being characterised by: a main-chain second repeating unit being interdispersed between said main-chain first repeating unit, said second repeating unit being configured to provide a secondary ion coordinating site within said coordinating channel, said secondary ion coordinating site being less coordinating then said primary ion coordinating site; wherein said polymer electrolyte is configured to provide ion transport within said coordinating channel involving ion transport between said primary ion coordinating site and said secondary ion coordinating site.