6,7-dichloro-2,5,8-trihydroxy-3-propyl-1,4-naphthoquinone | 206431-42-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6,7-dichloro-2,5,8-trihydroxy-3-propyl-1,4-naphthoquinone
• CAS: 206431-42-7
• 化学式: C₁₃H₁₀Cl₂O₅
• 分子量: 317.125
• InChiKey: AGPJDZRANSOOAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  94.83
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  6,7-dichloro-2,5,8-trihydroxy-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 15.0h， 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：

  2,3-dichloro-5,8-dihydroxy-[1,4]naphthoquinone 在 manganese(IV) oxide 、 硫酸 作用下， 以 叔丁醇 为溶剂， 反应 2.0h， 生成 6,7-dichloro-2,5,8-trihydroxy-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