(26E,50Z)-54,56-bis(4-hydroxybutyl)-2,4,26,28,30,52,53,55-octaazatricyclo[48.2.2.224,27]hexapentaconta-1(52),24(56),26,50(54)-tetraene-3,25,29,51-tetraone | 1168124-40-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (26E,50Z)-54,56-bis(4-hydroxybutyl)-2,4,26,28,30,52,53,55-octaazatricyclo[48.2.2.224,27]hexapentaconta-1(52),24(56),26,50(54)-tetraene-3,25,29,51-tetraone
• CAS: 1168124-40-0
• 化学式: C₅₆H₁₀₀N₈O₆
• 分子量: 981.46
• InChiKey: ZJMQCBJPJNCVES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.79
• 重原子数：
  70.0
• 可旋转键数：
  8.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  214.22
• 氢给体数：
  8.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  10-十一碳烯基氯酸 、 (26E,50Z)-54,56-bis(4-hydroxybutyl)-2,4,26,28,30,52,53,55-octaazatricyclo[48.2.2.224,27]hexapentaconta-1(52),24(56),26,50(54)-tetraene-3,25,29,51-tetraone 在 吡啶 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以76%的产率得到4-[3,29,54,56-Tetraoxo-51-(4-undec-10-enoyloxybutyl)-2,4,26,28,30,52,53,55-octazatricyclo[48.2.2.224,27]hexapentaconta-1(52),24,26,50-tetraen-25-yl]butyl undec-10-enoate
  参考文献：
  名称：

  A Biomimetic Modular Polymer with Tough and Adaptive Properties

  摘要：

  Natural materials employ many elegant strategies to achieve mechanical properties required for survival under varying environmental conditions. Thus these remarkable biopolymers and nanocomposites often not only have a combination of mechanical properties such as high modulus, toughness, and elasticity, but also exhibit adaptive and stimuli-responsive properties. Inspired by skeletal muscle protein titin, we have synthesized a biomimetic modular polymer that not only closely mimics the modular multidomain structure of titin, but also manifests an exciting combination of mechanical properties, as well as adaptive properties such as self-heating and temperature-responsive shape-memory properties.

  DOI：

  10.1021/ja9009666