7-methyl-9-(1-methyl-2-oxopropoxy)-2,3-dihydrocyclopenta[c]chromen-4(1H)-one | 314744-30-4

• 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: 7-methyl-9-(1-methyl-2-oxopropoxy)-2,3-dihydrocyclopenta[c]chromen-4(1H)-one
• 英文别名: 7-methyl-9-[(3-oxobutan-2-yl)oxy]-2,3-dihydrocyclopenta[c]chromen-4(1H)-one；7-methyl-9-(3-oxobutan-2-yloxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
• CAS: 314744-30-4
• 化学式: C₁₇H₁₈O₄
• 分子量: 286.328
• InChiKey: CEJUOVMKOQQQBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 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：

  7-methyl-9-(1-methyl-2-oxopropoxy)-2,3-dihydrocyclopenta[c]chromen-4(1H)-one 在 sodium hydroxide 作用下， 以 异丙醇 为溶剂， 以73%的产率得到2,3,4-trimethyl-9,10-dihydrocyclopenta[c]furo[2,3-f]chromen-7(8H)-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：

  9-hydroxy-7-methyl-2,3-dihydrocyclopenta[c]chromen-4(1H)-one 、 3-氯-2-丁酮 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以75%的产率得到7-methyl-9-(1-methyl-2-oxopropoxy)-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.