3-hydroxy-4-(1-(2,4-dihydroxyphenyl)-2-hydroxy-2,2-diphenylethylidene)cyclohexa-2,5-dienone | 1208312-47-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 3-hydroxy-4-(1-(2,4-dihydroxyphenyl)-2-hydroxy-2,2-diphenylethylidene)cyclohexa-2,5-dienone
• 英文别名: 4-[1-(2,4-dihydroxyphenyl)-2-hydroxy-2,2-diphenylethylidene]-3-hydroxycyclohexa-2,5-dien-1-one
• CAS: 1208312-47-3
• 化学式: C₂₆H₂₀O₅
• 分子量: 412.442
• InChiKey: VVJMDQLRJYPSLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.37
• 重原子数：
  31.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  97.99
• 氢给体数：
  4.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  联苯甲酰 、 间苯二酚 在 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 6.0h， 以55%的产率得到3-hydroxy-4-(1-(2,4-dihydroxyphenyl)-2-hydroxy-2,2-diphenylethylidene)cyclohexa-2,5-dienone
  参考文献：
  名称：

  Solvatochromicity of 3-hydroxy-4-(1-(2,4-dihydroxyphenyl)-2-hydroxy-2,2-diphenylethylidene)cyclohexa-2,5-dienone for screening of solvents

  摘要：

  The quinonic compound 3-hydroxy-4-(1-(2,4-dihydroxyphenyl)-2-hydroxy-2,2-diphenylethylidene)cyclohexa-2,5-dienone (1) is synthesised by the reaction of benzil with 1,3-dihydroxybenzene in basic medium. Solution of this compound shows visibly distinct colour differences in different solvents. From the different absorption maxima of the compound in visible spectra it can be used as an excellent analytical reagent to screen different solvents. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2009.10.007