| 1437765-61-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 1437765-61-1
• 化学式: C₂₈H₃₈O₇
• 分子量: 486.606
• InChiKey: QGBCJIMHAKVEIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.43
• 重原子数：
  35.0
• 可旋转键数：
  17.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  91.29
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  甲基丙烯酸酐 、 在 吡啶 作用下， 反应 18.0h， 以23%的产率得到
  参考文献：
  名称：

  “Flex-Activated” Mechanophores: Using Polymer Mechanochemistry To Direct Bond Bending Activation

  摘要：

  We describe studies in mechanochemical transduction that probe the activation of bonds orthogonal to an elongated polymer main chain. Compression of mechanophore-cross-linked materials resulted in the release of small molecules via cleavage of covalent bonds that were not integral components of the elongated polymer segments. The reactivity is proposed to arise from the distribution of force through the cross-linking units of the polymer network and subsequent bond bending motions that are consistent with the geometric changes in the overall reaction. This departure from contemporary polymer mechanochemistry, in which activation is achieved primarily by force-induced bond elongation, is a first step toward mechanophores capable of releasing side-chain functionalities without inherently compromising the overall macromolecular architecture.

  DOI：

  10.1021/ja403757p
• 作为产物：
  描述：

  1,6-己二醇 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 反应 38.0h， 生成
  参考文献：
  名称：

  “Flex-Activated” Mechanophores: Using Polymer Mechanochemistry To Direct Bond Bending Activation

  摘要：

  We describe studies in mechanochemical transduction that probe the activation of bonds orthogonal to an elongated polymer main chain. Compression of mechanophore-cross-linked materials resulted in the release of small molecules via cleavage of covalent bonds that were not integral components of the elongated polymer segments. The reactivity is proposed to arise from the distribution of force through the cross-linking units of the polymer network and subsequent bond bending motions that are consistent with the geometric changes in the overall reaction. This departure from contemporary polymer mechanochemistry, in which activation is achieved primarily by force-induced bond elongation, is a first step toward mechanophores capable of releasing side-chain functionalities without inherently compromising the overall macromolecular architecture.

  DOI：

  10.1021/ja403757p