6-hydroxy-2,2,7-trimethyl-3,4-dihydro-2H-chromene-5,8-dione | 91497-30-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 6-hydroxy-2,2,7-trimethyl-3,4-dihydro-2H-chromene-5,8-dione
• 英文别名: 6-hydroxy-2,2,7-trimethyl-chroman-5,8-quinone；6-Hydroxy-2,2,7-trimethyl-chroman-5,8-chinon；6-Hydroxy-2,2,7-trimethyl-3,4-dihydro-2H-1-benzopyran-5,8-dione；6-hydroxy-2,2,7-trimethyl-3,4-dihydrochromene-5,8-dione
• CAS: 91497-30-2
• 化学式: C₁₂H₁₄O₄
• 分子量: 222.241
• InChiKey: HIPPXQNILZIELI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,2,7,8-tetramethylchroman-5,6-dione 在 甲醇 、 硝酸 作用下， 生成 6-hydroxy-2,2,7-trimethyl-3,4-dihydro-2H-chromene-5,8-dione
  参考文献：
  名称：

  John; Emte, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1941, vol. 268, p. 85,99

  摘要：

  DOI：

文献信息

• α-Tocopurple, an Oxidation Product of α-Tocopherol¹
  作者：Vernon L. Frampton、W. A. Skinner、Paris Cambour、Philip S. Bailey

  DOI：10.1021/ja01502a046

  日期：1960.9

  alpha-Tocopurple, an oxidation product of a-tocopherol (vitamin E), has been isolated and its structure proved to be 2,7-dimethyl-6-hydroxy-2-(4,8,12-trimethyltridecyl)-5,8-chromanquinone (111). The three isomeric tetramethyl-beta hydroxychromans (VII, IX, X) have been synthesized and obtained as analytically pure solids. Oxidation of 2,2,7,8-tetramethyl-6-hydroxychroman (VI I) and of 2,2,5,7-tetramethyl-6-hydroxychroman (IX) with ferric chloride in methanol yielded the same hydroxyquinone (XII), thereby proving its structure.
• John; Emte, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1941, vol. 268, p. 85,99
  作者：John、Emte

  DOI：——

  日期：——