1,4:3,6-dianhydro-2,5-bis-O-(4-nitrophenoxycarbonyl)-D-glucitol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃类
• 英文名称: 1,4:3,6-dianhydro-2,5-bis-O-(4-nitrophenoxycarbonyl)-D-glucitol
• 英文别名: [(3S,3aR,6R,6aR)-3-(4-nitrophenoxy)carbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (4-nitrophenyl) carbonate
• 化学式: C₂₀H₁₆N₂O₁₂
• 分子量: 476.353
• InChiKey: ULDUQGMHMKFFQK-XMTFNYHQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  181
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  对硝基苯基氯甲酸酯 、 异山梨醇 在 4-二甲氨基吡啶 、 N,N-二异丙基乙胺 作用下， 以 环丁砜 为溶剂， 生成 1,4:3,6-dianhydro-2,5-bis-O-(4-nitrophenoxycarbonyl)-D-glucitol
  参考文献：
  名称：

  Ionic Diffusion Mechanism of Glucitol-Containing Lithium Polymer Electrolytes

  摘要：

  We investigated restricted diffusion of ionic species in glucitol-type lithium polymer electrolytes by observing echo-intensity changes of pulsed gradient spin echo NMR which reflect carrier diffusion behavior. Echo attenuation showed an anomalous feature attributable to deviation from random walk migration due to the restricted diffusion. The attenuation behavior depended on the diffusion time for measurement, Delta, in the range of 40 ms < Delta < 160 ms. This revealed that the size of the boundary structure which causes diffusion restriction was micrometer order. We speculated that a kind of micron size domain, which is an aggregation unit of entangled polymer chains, is responsible for the diffusion restriction. Simulations based on a rectangular model showed characteristic features of echo-changing behavior against two dominant factors: inherent diffusion coefficient, D, and domain size, a, which depend on variable parameters, observed temperature, T, and salt concentration, C, of the polymer electrolyte. Estimated D and a of the anion species by fitting the experimental data to a restricted diffusion model increased with increasing T and C. On the other hand, D and a of the cation species showed decreasing tendency with increased T and C. This difference would be attributed to their migration mechanisms: The cation is attracted by oxygen sites and takes the hopping process from site to site along the polymer chain in migration, whereas anion is weakly attracted by the polymer, leading to the migration free from the site-hopping process. Coulombic effect would provide stronger restricted situation on the cation compared with that due to the morphological domain structure, leading to the anomalous change in restriction parameters.

  DOI：

  10.1021/ma050503v