9-[2-(4-chlorophenyl)-2-oxoethoxy]-7-methyl-2,3-dihydrocyclopenta[c]chromen-4(1H)-one | 307549-59-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 9-[2-(4-chlorophenyl)-2-oxoethoxy]-7-methyl-2,3-dihydrocyclopenta[c]chromen-4(1H)-one
• 英文别名: 9-[2-(4-chlorophenyl)-2-oxoethoxy]-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
• CAS: 307549-59-3
• 化学式: C₂₁H₁₇ClO₄
• mdl: MFCD02058057
• 分子量: 368.817
• InChiKey: NUJLTJRZAZGPHV-UHFFFAOYSA-N

物化性质

• 沸点：
  589.5±50.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 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：

  9-[2-(4-chlorophenyl)-2-oxoethoxy]-7-methyl-2,3-dihydrocyclopenta[c]chromen-4(1H)-one 在 sodium hydroxide 作用下， 以 异丙醇 为溶剂， 以91%的产率得到3-(4-chlorophenyl)-4-methyl-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 、 2'-溴-4-氯苯乙酮 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以94%的产率得到9-[2-(4-chlorophenyl)-2-oxoethoxy]-7-methyl-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.