1,4-Naphthalenedione, 6-ethyl-2,5,8-trihydroxy- | 13378-88-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,4-Naphthalenedione, 6-ethyl-2,5,8-trihydroxy-
• 英文别名: 6-ethyl-2,5,8-trihydroxy-1,4-naphthoquinone；6-ethyl-2-hydroxynaphthazarin；6-ethyl-2,5,8-trihydroxy-[1,4]naphthoquinone；6-Aethyl-2,5,8-trihydroxy-[1,4]naphthochinon；2,5,8-trihydroxy-6-ethyl-1,4-naphthoquinone；2-Hydroxy-6-ethyl-naphthazarin；6-Ethyl-2-hydroxy-naphthazarin
• CAS: 13378-88-6
• 化学式: C₁₂H₁₀O₅
• 分子量: 234.208
• InChiKey: ZHUFWQXQHBCVTE-UHFFFAOYSA-N

物化性质

• 熔点：
  204-204.5 °C
• 沸点：
  557.6±50.0 °C(Predicted)
• 密度：
  1.590±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.48
• 重原子数：
  17.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  94.83
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2,3-dichloro-6-ethyl-5,8-dihydroxy-1,4-naphthoquinone 在 manganese(IV) oxide 、 硫酸 、 铁粉 、 溶剂黄146 作用下， 反应 1.5h， 生成 1,4-Naphthalenedione, 6-ethyl-2,5,8-trihydroxy-
  参考文献：
  名称：

  摘要：

  A series of substituted (poly)hydroxylated naphthazarins (5.8-dihydroxy-1,4-naphthoquinones) were synthesized. In general, (poly) hydroxynaphthazarins exist in organic aprotic solvents as mixtures of tautomeric 1,4-naphthoquinonoid forms (IR data). The ratio of tautomers was determined for the first time. The effects of the nature of substituents and the solvent polarity on the tautomeric equilibrium were qualitatively estimated,

  DOI：

  10.1023/a:1022425121552

文献信息

• US4888026A
  申请人：——

  公开号：US4888026A

  公开（公告）日：1989-12-19
• ——
  作者：V. P. Glazunov、A. Ya. Yakubovskaya、N. D. Pokhilo、N. V. Bochinskaya、V. Ph. Anufriev

  DOI：10.1023/a:1022425121552

  日期：——

  A series of substituted (poly)hydroxylated naphthazarins (5.8-dihydroxy-1,4-naphthoquinones) were synthesized. In general, (poly) hydroxynaphthazarins exist in organic aprotic solvents as mixtures of tautomeric 1,4-naphthoquinonoid forms (IR data). The ratio of tautomers was determined for the first time. The effects of the nature of substituents and the solvent polarity on the tautomeric equilibrium were qualitatively estimated,