3-(2,3-dihydrobenzo[1,4]dioxan-6-yl)-7-hydroxy-8-pyrrolidin-1-ylmethylchromen-4-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 3-(2,3-dihydrobenzo[1,4]dioxan-6-yl)-7-hydroxy-8-pyrrolidin-1-ylmethylchromen-4-one
• 英文别名: 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-4H-chromen-4-one；3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)chromen-4-one
• 化学式: C₂₂H₂₁NO₅
• 分子量: 379.412
• InChiKey: ABFOABXPWKRNOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  72.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-甲酰吡咯烷 、 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxyisoflavone 以 1,4-二氧六环 为溶剂， 反应 3.0h， 生成 3-(2,3-dihydrobenzo[1,4]dioxan-6-yl)-7-hydroxy-8-pyrrolidin-1-ylmethylchromen-4-one
  参考文献：
  名称：

  摘要：

  Homologs of the natural isoflavonoid pseudobaptigenin containing benzodioxane and benzodioxepane fragments were synthesized. Methanesulfonyl, carbamoyl, aminomethyl, and coumarin-containing isoflavone derivatives were prepared.

  DOI：

  10.1023/a:1025470418642

文献信息

• ——
  作者：S. P. Bondarenko、M. S. Frasinyuk、V. P. Khilya

  DOI：10.1023/a:1025470418642

  日期：——

  Homologs of the natural isoflavonoid pseudobaptigenin containing benzodioxane and benzodioxepane fragments were synthesized. Methanesulfonyl, carbamoyl, aminomethyl, and coumarin-containing isoflavone derivatives were prepared.