| 1229579-38-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1229579-38-7
• 化学式: C₂₄H₃₄N₄O₄S₂
• 分子量: 506.69
• InChiKey: NPMSMBYDGRCQRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.44
• 重原子数：
  34.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  124.24
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  、 三氟乙酸 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Columnar Liquid Crystal with a Spontaneous Polarization along the Columnar Axis

  摘要：

  A fan-shaped molecule (2), carrying hydrogen-bonding amide groups in proximity to its polar aromatic core, self-assembles into a columnar liquid crystalline mesophase, which unprecedentedly possesses a spontaneous macroscopic polarization along the columnar axis. Due to its polar nature, the mesophase displays a signal of second harmonic generation (SHG), which disappears on phase transition to an isotropic melt and then retrieves its original intensity on subsequent cooling.

  DOI：

  10.1021/ja101866e
• 作为产物：
  描述：

  4,5-二氯邻苯二甲腈 、 2-甲基-2-丙基(3-硫基丙基)氨基甲酸酯 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 1,3-二甲基-2-咪唑啉酮 为溶剂， 反应 4.0h， 以89 mg的产率得到
  参考文献：
  名称：

  Columnar Liquid Crystal with a Spontaneous Polarization along the Columnar Axis

  摘要：

  A fan-shaped molecule (2), carrying hydrogen-bonding amide groups in proximity to its polar aromatic core, self-assembles into a columnar liquid crystalline mesophase, which unprecedentedly possesses a spontaneous macroscopic polarization along the columnar axis. Due to its polar nature, the mesophase displays a signal of second harmonic generation (SHG), which disappears on phase transition to an isotropic melt and then retrieves its original intensity on subsequent cooling.

  DOI：

  10.1021/ja101866e

文献信息

• The Role of Hydrogen Bonds in Thermally Responsive Crystallization‐Driven Template Autocatalysis
  作者：Huimin Wu、Qing‐Xuan Chen、Yang Su、Zhen Chen

  DOI：10.1002/anie.202404838

  日期：2024.7

  Here we elucidate the role of intermolecular hydrogen bonds formed by trans-amides in thermally responsive crystallization-driven template autocatalysis. The H-bonds not only endow the product with template ability but can also thermally activate or inhibit autocatalysis by reversibly changing amide conformations. Our work sheds light on the significance of noncovalent H-bonding interactions in artificial

  在这里，我们阐明了反式酰胺形成的分子间氢键在热响应结晶驱动模板自催化中的作用。氢键不仅赋予产物模板能力，而且还可以通过可逆地改变酰胺构象来热激活或抑制自催化。我们的工作揭示了人工自我复制中非共价氢键相互作用的重要性。