6-methyl-7-(2-oxocyclohexyloxy)-2,3-dihydrocyclopenta[c]chromen-4(1H)-one | 307548-98-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 6-methyl-7-(2-oxocyclohexyloxy)-2,3-dihydrocyclopenta[c]chromen-4(1H)-one
• 英文别名: 6-methyl-7-[(2-oxocyclohexyl)oxy]-2,3-dihydrocyclopenta[c]chromen-4(1H)-one；6-methyl-7-(2-oxocyclohexyl)oxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
• CAS: 307548-98-7
• 化学式: C₁₉H₂₀O₄
• 分子量: 312.365
• InChiKey: QKNLUNQORGYTNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-methyl-7-(2-oxocyclohexyloxy)-2,3-dihydrocyclopenta[c]chromen-4(1H)-one 在 sodium hydroxide 作用下， 以 异丙醇 为溶剂， 以82%的产率得到6-methyl-2,3,8,9,10,11-hexahydrobenzo[4,5]furo[3,2-g]cyclopenta[c]chromen-4(1H)-one
  参考文献：
  名称：

  摘要：

  Psoralen and allopsoralen analogs that contain an annelated cyclopentane were synthesized from 7-hydroxy- and 9-hydroxy-1,2,3,4-tetrahydrocyclopenta[c]chromen-4-ones. 9-Phenyl-1,2,3,4-tetrahydrocyclopenta[c]furo[3,2-g]chromen-4-one exhibited low toxicity, acted as a CNS stimulant, and exhibited cardiotropic activity.

  DOI：

  10.1023/a:1020423826071
• 作为产物：
  描述：

  2,6-二羟基甲苯 在 硫酸 、 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 6-methyl-7-(2-oxocyclohexyloxy)-2,3-dihydrocyclopenta[c]chromen-4(1H)-one
  参考文献：
  名称：

  摘要：

  Psoralen and allopsoralen analogs that contain an annelated cyclopentane were synthesized from 7-hydroxy- and 9-hydroxy-1,2,3,4-tetrahydrocyclopenta[c]chromen-4-ones. 9-Phenyl-1,2,3,4-tetrahydrocyclopenta[c]furo[3,2-g]chromen-4-one exhibited low toxicity, acted as a CNS stimulant, and exhibited cardiotropic activity.

  DOI：

  10.1023/a:1020423826071

文献信息

• ——
  作者：M. M. Garazd、Ya. L. Garazd、S. V. Shilin、T. N. Panteleimonova、V. P. Khilya

  DOI：10.1023/a:1020423826071

  日期：——

  Psoralen and allopsoralen analogs that contain an annelated cyclopentane were synthesized from 7-hydroxy- and 9-hydroxy-1,2,3,4-tetrahydrocyclopenta[c]chromen-4-ones. 9-Phenyl-1,2,3,4-tetrahydrocyclopenta[c]furo[3,2-g]chromen-4-one exhibited low toxicity, acted as a CNS stimulant, and exhibited cardiotropic activity.