6,7-Dichloro-2-ethoxy-5,8-dihydroxy-3-propyl-[1,4]naphthoquinone | 206431-44-9

• 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-propyl-[1,4]naphthoquinone
• 英文别名: 6,7-Dichloro-2-ethoxy-5,8-dihydroxy-3-propylnaphthalene-1,4-dione
• CAS: 206431-44-9
• 化学式: C₁₅H₁₄Cl₂O₅
• 分子量: 345.179
• InChiKey: HXAXSDSOXRVAGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6,7-Dichloro-2-ethoxy-5,8-dihydroxy-3-propyl-[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 2,5,6,7,8-Pentahydroxy-3-propyl-[1,4]naphthoquinone
  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：

  6,7-dichloro-2-hydroxynaphthazarin 以 叔丁醇 为溶剂， 反应 3.0h， 生成 6,7-Dichloro-2-ethoxy-5,8-dihydroxy-3-propyl-[1,4]naphthoquinone
  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