| 1417795-42-6

• CAS: 1417795-42-6
• 化学式: C₂₇H₁₈O₅
• 分子量: 422.437
• InChiKey: KLRAKNODGGMQDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.86
• 重原子数：
  32.0
• 可旋转键数：
  3.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  69.67
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  1,3-茚满二酮 、 3-乙氧基水杨醛 在 碘 作用下， 以 乙醇 为溶剂， 反应 0.33h， 以74%的产率得到
  参考文献：
  名称：

  Iodine catalyzed synthesis of the chromene derivatives in one-pot

  摘要：

  Iodine catalyzed one-pot reactions of salicylaldehyde and dimolecular 1H-indene-1,3(2H)-dione, barbituric acids, 4-hydroxycoumarin, or 4-hydroxy-6-methylpyran-2-one were performed and provided a rapid, convenient and general approach to synthesize the chromene derivatives. 2-(11-Oxo-10,11-dihydroindeno[1,2-b]chromen-10-yl)-1H-indene-1,3(2H)-diones P1-P4 and 10-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-methylpyrano[4,3-b]chromen-1(10H)-ones P8-P9 were unprecedentedly prepared and structurally identified by NMR and Mass. The confirmation of structure by single crystal X-ray crystallography is reported for P3. (C) 2012 Chun Cai. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2012.11.002