| 1387558-19-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• CAS: 1387558-19-1
• 化学式: C₂₄H₂₃NO₂
• 分子量: 357.452
• InChiKey: DFIRVJUGARHLNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.01
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  53.09
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  2-(4,4-dimethyl-2,6-dioxocyclohexyl)-1,4-diphenylbutane-1,4-dione 在 溶剂黄146 、 尿素 作用下， 反应 0.5h， 以63%的产率得到6,6-dimethyl-3-(2-oxo-2-phenylethyl)-2-phenyl-1,5,6,7-tetrahydro-4H-indol-4-one
  参考文献：
  名称：

  Adduct of dimedone and 1,2-dibenzoylethene in reactions with nitrogen binucleophiles

  摘要：

  Dimedone adduct with 1,2-dibenzoylethene in reaction with p-phenylenediamine formed a bispyrrole derivative, and with benzidine and ethylenediamine afforded the corresponding monopyrroles. The reaction of the initial adduct with tryptamine results in a product containing a pyrrole and an indole fragments. Both versions of N-heterocyclization proceed in the reaction with urea yielding derivatives of tetrahydroindole and pyrrole. In the reaction with hydrazine hydrate a substituted pyridazine was obtained as a result of a dimedone molecule elimination from the intermediate cyclization product.

  DOI：

  10.1134/s1070428012050090