ethyl 3-(2,3-dihydrobenzo[1,4]dioxan-6-yl)-6-ethyl-7-hydroxy-4-oxo-8-(1,3,3-trimethyl-6-aza-bicyclo[3.2.1]oct-6-ylmethyl)-4H-chromene-2-carboxylate

• 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: ethyl 3-(2,3-dihydrobenzo[1,4]dioxan-6-yl)-6-ethyl-7-hydroxy-4-oxo-8-(1,3,3-trimethyl-6-aza-bicyclo[3.2.1]oct-6-ylmethyl)-4H-chromene-2-carboxylate
• 英文别名: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxycarbonyl)-6-ethyl-4-oxo-8-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]oct-6-yl)methyl]-4H-chromen-7-olate；3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxycarbonyl-6-ethyl-4-oxo-8-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl)methyl]chromen-7-olate
• 化学式: C₃₃H₃₉NO₇
• 分子量: 561.675
• InChiKey: BZJICKCLYNNFRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  94.5
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1,3,3-Trimethyl-6-aza-bicyclo[3.2.1]octane-6-carbaldehyde 、 3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylic acid ethyl ester 以 1,4-二氧六环 为溶剂， 反应 3.0h， 生成 ethyl 3-(2,3-dihydrobenzo[1,4]dioxan-6-yl)-6-ethyl-7-hydroxy-4-oxo-8-(1,3,3-trimethyl-6-aza-bicyclo[3.2.1]oct-6-ylmethyl)-4H-chromene-2-carboxylate
  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.