| 1190092-41-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• CAS: 1190092-41-1
• 化学式: C₃₆H₄₃N₃O₂
• 分子量: 549.756
• InChiKey: AKAAXHVWGLXBMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.93
• 重原子数：
  41.0
• 可旋转键数：
  15.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  56.03
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  、 胆固醇甲酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以82%的产率得到
  参考文献：
  名称：

  Sonication-Induced Molecular Gels Based on Mono-Cholesterol Substituted Quinacridone Derivatives

  摘要：

  A series of monocholesterol substituted quinacridone derivatives MCC(n) (n = 4, 6, 9) has been designed and synthesized. Compounds MCC(6) and MCC(8) can gelate a wide range of organic solvents upon ultrasound irradiation and afford intriguing well-defined nanostructures composed of three-dimensional sponge-like superstructures or Fibrous networks. Interestingly, the gel produced from MCC(6) is sensitive to thermo-, aniline, and formic acid stimulus, giving obviously different aggregation behaviors as well as physical properties. Time-dependent spectroscopic data and theoretical calculation results provided explanation for the possible molecular aggregation mode during the formation of the gels.

  DOI：

  10.1021/la902663z
• 作为产物：
  描述：

  正丁胺 、 N,N'-di(6-bromohexyl)quinacridone 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 以35%的产率得到
  参考文献：
  名称：

  Sonication-Induced Molecular Gels Based on Mono-Cholesterol Substituted Quinacridone Derivatives

  摘要：

  A series of monocholesterol substituted quinacridone derivatives MCC(n) (n = 4, 6, 9) has been designed and synthesized. Compounds MCC(6) and MCC(8) can gelate a wide range of organic solvents upon ultrasound irradiation and afford intriguing well-defined nanostructures composed of three-dimensional sponge-like superstructures or Fibrous networks. Interestingly, the gel produced from MCC(6) is sensitive to thermo-, aniline, and formic acid stimulus, giving obviously different aggregation behaviors as well as physical properties. Time-dependent spectroscopic data and theoretical calculation results provided explanation for the possible molecular aggregation mode during the formation of the gels.

  DOI：

  10.1021/la902663z