13-(2-fluoro-5-(trifluoromethyl)phenyl)-indeno[1,2-b]naphtho[1,2-e]pyran-12(13H)-one | 1258870-71-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 13-(2-fluoro-5-(trifluoromethyl)phenyl)-indeno[1,2-b]naphtho[1,2-e]pyran-12(13H)-one
• 英文别名: 12-[2-Fluoro-5-(trifluoromethyl)phenyl]-2-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaen-10-one
• CAS: 1258870-71-1
• 化学式: C₂₇H₁₄F₄O₂
• 分子量: 446.401
• InChiKey: VSONZHGRMLYUHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  33
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,3-茚满二酮 、 2-氟-5-(三氟甲基)苯甲醛 、 2-萘酚 在 silica chloride 作用下， 反应 2.0h， 以85%的产率得到13-(2-fluoro-5-(trifluoromethyl)phenyl)-indeno[1,2-b]naphtho[1,2-e]pyran-12(13H)-one
  参考文献：
  名称：

  Silica Chloride Catalysed One-pot Synthesis of 13-Aryl-indeno[1,2-b]naphtha[1,2-e]pyran-12(13H)-ones under Solvent-free Conditions

  摘要：

  AbstractA simple and facile synthesis of 13‐aryl‐indeno[1,2‐b]naphtha[1,2‐e]pyran‐12(13H)‐ones has been accomplished by the one‐pot condensation of β‐naphthol, aldehydes, and 2H‐indene‐1,3‐dione under solvent‐free conditions in the presence of the heterogeneous catalyst silica chloride.

  DOI：

  10.1002/jccs.201000102

文献信息

• Silica Chloride Catalysed One-pot Synthesis of 13-Aryl-indeno[1,2-<i>b</i>]naphtha[1,2-e]pyran-12(13<i>H</i>)-ones under Solvent-free Conditions
  作者：Li-Qiang Wu、Li-Min Yang、Xiao Wang、Fu-Lin Yan

  DOI：10.1002/jccs.201000102

  日期：2010.8

  AbstractA simple and facile synthesis of 13‐aryl‐indeno[1,2‐b]naphtha[1,2‐e]pyran‐12(13H)‐ones has been accomplished by the one‐pot condensation of β‐naphthol, aldehydes, and 2H‐indene‐1,3‐dione under solvent‐free conditions in the presence of the heterogeneous catalyst silica chloride.
• Sulfamic acid-catalyzed synthesis of 13-aryl-indeno[1,2-b]-naphtha[1,2-e]pyran-12(13H)-ones under solvent-free conditions
  作者：Li Qiang Wu、Wei Lin Li、Fu Lin Yan

  DOI：10.1002/jhet.445

  日期：——

  Abstract magnified image The reaction of β‐naphthol with arylaldehydes and 2H‐indene‐1,3‐dione in the presence of sulfamic acid (3 mol %) under solvent‐free conditions led to 13‐aryl‐indeno[1,2‐b]naphtho[1,2‐e]pyran‐12(13H)‐ones in good yields. J. Heterocyclic Chem., (2010).