13-Hydroxy-13-methyltetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9-tetraen-11-one | 293329-17-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 13-Hydroxy-13-methyltetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9-tetraen-11-one
• CAS: 293329-17-6
• 化学式: C₁₇H₁₈O₂
• 分子量: 254.329
• InChiKey: YKTLAMPUTBKEPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  13-Hydroxy-13-methyltetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9-tetraen-11-one 在 磷酸 作用下， 反应 10.0h， 以53%的产率得到13-Methyltetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaen-11-one
  参考文献：
  名称：

  Enhancement of the π-electron delocalization and fluorescence efficiency of 1,6-diphenyl-1,3,5-hexatriene by covalent rigidification

  摘要：

  Bridged 1,6-diphenyl-1,3,5-hexatrienes were prepared from 1-indanone by successive Robinson annulation and McMurry coupling reaction. Rigidification produces a decrease in oxidation potential and HOMO-LUMO gap, and a considerable enhancement of fluorescence quantum yield compared to the open-chain analog. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00792-9
• 作为产物：
  描述：

  丁烯酮 、 1-茚酮 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 18.0h， 以25%的产率得到13-Hydroxy-13-methyltetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9-tetraen-11-one
  参考文献：
  名称：

  Enhancement of the π-electron delocalization and fluorescence efficiency of 1,6-diphenyl-1,3,5-hexatriene by covalent rigidification

  摘要：

  Bridged 1,6-diphenyl-1,3,5-hexatrienes were prepared from 1-indanone by successive Robinson annulation and McMurry coupling reaction. Rigidification produces a decrease in oxidation potential and HOMO-LUMO gap, and a considerable enhancement of fluorescence quantum yield compared to the open-chain analog. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00792-9

文献信息

• Enhancement of the π-electron delocalization and fluorescence efficiency of 1,6-diphenyl-1,3,5-hexatriene by covalent rigidification
  作者：Bruno Jousselme、Philippe Blanchard、Pierre Frère、Jean Roncali

  DOI：10.1016/s0040-4039(00)00792-9

  日期：2000.6

  Bridged 1,6-diphenyl-1,3,5-hexatrienes were prepared from 1-indanone by successive Robinson annulation and McMurry coupling reaction. Rigidification produces a decrease in oxidation potential and HOMO-LUMO gap, and a considerable enhancement of fluorescence quantum yield compared to the open-chain analog. (C) 2000 Elsevier Science Ltd. All rights reserved.