7-phenyl-6H-dibenzo[b,h]xanthene-5,6,8,13(7H)-tetraone | 24055-77-4

• 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: 7-phenyl-6H-dibenzo[b,h]xanthene-5,6,8,13(7H)-tetraone
• 英文别名: 7-phenyl-dibenzo[b,h]xanthene-5,6,8,13-diquinone；7-Phenyl-dibenzo[b,h]xanthen-5,6,8,13-dichinon；13-Phenyl-2-oxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4,6,8,16,18,20-octaene-10,11,15,22-tetrone
• CAS: 24055-77-4
• 化学式: C₂₇H₁₄O₅
• 分子量: 418.405
• InChiKey: USWGKWDMMUMRGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  32
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  77.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  7-phenyl-6H-dibenzo[b,h]xanthene-5,6,8,13(7H)-tetraone 、 邻苯二胺 在 sodium acetate 作用下， 以 溶剂黄146 为溶剂， 以76%的产率得到17-phenyl-11Hbenzo[a]benzo[6,7]chromeno[2,3-c]phenazine-11,16(17H)-dione
  参考文献：
  名称：

  Insight into and Computational Studies of the Selective Synthesis of 6H-Dibenzo[b,h]xanthenes

  摘要：

  Starting from 2-hydroxy-1,4-naphthoquinone (lawsone), we synthesized eight new 6H-dibenzo[b,h]xanthene derivatives selectively under solvent-free conditions. Spectroscopic investigations confirmed that only the isomer 6H-dibenzo[b,h]xanthene was obtained in all eight cases. Computational studies provide a rationalization for the selective appearance of these isomers having as an intermediate an addition product.

  DOI：

  10.1021/acs.joc.6b00864
• 作为产物：
  描述：

  3,3′-(phenylmethylene)bis(2-hydroxynaphthalene-1,4-dione) 在 对甲苯磺酸 作用下， 以79%的产率得到7-phenyl-6H-dibenzo[b,h]xanthene-5,6,8,13(7H)-tetraone
  参考文献：
  名称：

  Insight into and Computational Studies of the Selective Synthesis of 6H-Dibenzo[b,h]xanthenes

  摘要：

  Starting from 2-hydroxy-1,4-naphthoquinone (lawsone), we synthesized eight new 6H-dibenzo[b,h]xanthene derivatives selectively under solvent-free conditions. Spectroscopic investigations confirmed that only the isomer 6H-dibenzo[b,h]xanthene was obtained in all eight cases. Computational studies provide a rationalization for the selective appearance of these isomers having as an intermediate an addition product.

  DOI：

  10.1021/acs.joc.6b00864

文献信息

• Hooker; Carnell, Journal of the Chemical Society, 1894, vol. 65, p. 84
  作者：Hooker、Carnell

  DOI：——

  日期：——