6,7-dichloro-2-ethoxy-5,8-dihydroxy-3-(2-ethoxycarbonylethyl)-1,4-naphthoquinone | 187149-29-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6,7-dichloro-2-ethoxy-5,8-dihydroxy-3-(2-ethoxycarbonylethyl)-1,4-naphthoquinone
• 英文别名: Ethyl 3-(6,7-dichloro-3-ethoxy-5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)propanoate
• CAS: 187149-29-7
• 化学式: C₁₇H₁₆Cl₂O₇
• 分子量: 403.216
• InChiKey: QGKPIWQKQUDBRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  6,7-dichloro-2-ethoxy-5,8-dihydroxy-3-(2-ethoxycarbonylethyl)-1,4-naphthoquinone 在 aluminum oxide 、 三氯化铝 、 cesium fluoride 作用下， 以 硝基苯 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Synthesis of some hydroxynaphthazarins and their cardioprotective effects under ischemia-reperfusion in vivo

  摘要：

  A series of hydroxynaphthazarins has been synthesized. Some of them were found in in vivo experiments to be protectors of myocardium under ischemia-reperfusion and to reduce the infarction zone by 50% without any adverse effect. All compounds exhibit a moderate or small toxicity and are active in low doses. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00075-4
• 作为产物：
  描述：

  原甲酸三乙酯 、 反应 0.83h， 以70%的产率得到6,7-dichloro-2-ethoxy-5,8-dihydroxy-3-(2-ethoxycarbonylethyl)-1,4-naphthoquinone
  参考文献：
  名称：

  A Convenient Method for the Selective Alkylation ofβ-OH Groups of 2(3)-Hydroxyjuglones and Hydroxynaphthazarines

  摘要：

  DOI：

  10.1080/00397919708004812

文献信息

• Synthesis of some hydroxynaphthazarins and their cardioprotective effects under ischemia-reperfusion in vivo
  作者：Victor Ph. Anufriey、Vyacheslav L. Novikov、Oleg B. Maximov、George B. Elyakov、Dmitry O. Levitsky、Alexander V. Lebedev、Safa M. Sadretdinov、Alexei V. Shvilkin、Natalya I. Afonskaya、Mikhail Ya. Ruda、Nina M. Cherpachenko

  DOI：10.1016/s0960-894x(98)00075-4

  日期：1998.3

  A series of hydroxynaphthazarins has been synthesized. Some of them were found in in vivo experiments to be protectors of myocardium under ischemia-reperfusion and to reduce the infarction zone by 50% without any adverse effect. All compounds exhibit a moderate or small toxicity and are active in low doses. (C) 1998 Elsevier Science Ltd. All rights reserved.
• A Convenient Method for the Selective Alkylation ofβ-OH Groups of 2(3)-Hydroxyjuglones and Hydroxynaphthazarines
  作者：Victor Ph.Anufriev、Vyacheslav L. Novikov、Galina V. Malinovskaya、Valery P. Glazunov

  DOI：10.1080/00397919708004812

  日期：1997.1.1