coronen-1-yl-(2,4-dimethoxyphenyl)-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol | 292624-78-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: coronen-1-yl-(2,4-dimethoxyphenyl)-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol
• CAS: 292624-78-3
• 化学式: C₄₄H₃₃NO₄
• 分子量: 639.75
• InChiKey: DDPXKTOIXQHRAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.78
• 重原子数：
  49.0
• 可旋转键数：
  6.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  60.28
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  coronen-1-yl-(2,4-dimethoxyphenyl)-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol 在 三氟乙酸 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 75.0h， 以85%的产率得到
  参考文献：
  名称：

  Tritylisation of pyrene, perylene and coronene: a new family of switchable fluorescent labels

  摘要：

  The synthesis of novel fluorescent labels based on pyrene, perylene and coronene is described. Due to the trityl-type structure, their fluorescence may be reversibly switched on and off by changing the pH. This property can be used to expand the palette of fluorophores available for multicolour DNA detection on DNA chips. Some FRET and surface chemistry applications are also demonstrated. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00737-1
• 作为产物：
  描述：

  晕苯 在 三氯化铝 作用下， 以 四氢呋喃 、 氯苯 为溶剂， 生成 coronen-1-yl-(2,4-dimethoxyphenyl)-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol
  参考文献：
  名称：

  Tritylisation of pyrene, perylene and coronene: a new family of switchable fluorescent labels

  摘要：

  The synthesis of novel fluorescent labels based on pyrene, perylene and coronene is described. Due to the trityl-type structure, their fluorescence may be reversibly switched on and off by changing the pH. This property can be used to expand the palette of fluorophores available for multicolour DNA detection on DNA chips. Some FRET and surface chemistry applications are also demonstrated. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00737-1