7,8-dihydro-4H-spiro[naphthalene-1,2'-[1,3]dioxolane]-4,5(6H)-dione | 415918-81-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7,8-dihydro-4H-spiro[naphthalene-1,2'-[1,3]dioxolane]-4,5(6H)-dione
• CAS: 415918-81-9
• 化学式: C₁₂H₁₂O₄
• 分子量: 220.225
• InChiKey: SEFXBTMXIUPDGK-UHFFFAOYSA-N

物化性质

• 沸点：
  457.1±45.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.92
• 重原子数：
  16.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  7,8-dihydro-4H-spiro[naphthalene-1,2'-[1,3]dioxolane]-4,5(6H)-dione 在 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 反应 20.0h， 以18%的产率得到8'-Hydroxyspiro[1,3-dioxolane-2,4'-naphthalene]-1'-one
  参考文献：
  名称：

  New inhibitors of the thioredoxin–thioredoxin reductase system based on a naphthoquinone spiroketal natural product lead

  摘要：

  Natural products of the naphthoquinone spiroketal structural type served as lead structures for the development of novel inhibitors of the thioredoxin-thioredoxin reductase redox. system. The most potent compound in this series inhibited thioredoxin with an IC50 of 350 nM, and many derivatives showed low micromolar activities for growth inhibition against two breast cancer cell lines. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00525-x
• 作为产物：
  描述：

  8'-Hydroxyspiro[1,3-dioxolane-2,4'-5,6,7,8-tetrahydronaphthalene]-1'-one 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 反应 1.25h， 以21%的产率得到7,8-dihydro-4H-spiro[naphthalene-1,2'-[1,3]dioxolane]-4,5(6H)-dione
  参考文献：
  名称：

  New inhibitors of the thioredoxin–thioredoxin reductase system based on a naphthoquinone spiroketal natural product lead

  摘要：

  Natural products of the naphthoquinone spiroketal structural type served as lead structures for the development of novel inhibitors of the thioredoxin-thioredoxin reductase redox. system. The most potent compound in this series inhibited thioredoxin with an IC50 of 350 nM, and many derivatives showed low micromolar activities for growth inhibition against two breast cancer cell lines. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00525-x