2,2-dimethyl-5-(3-oxo-1-cyclohexen-1-yl)aminomethylene-1,3-dioxane-4,6-dione | 143261-88-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2-dimethyl-5-(3-oxo-1-cyclohexen-1-yl)aminomethylene-1,3-dioxane-4,6-dione
• 英文别名: 2,2-Dimethyl-5-[[(3-oxocyclohexen-1-yl)amino]methylidene]-1,3-dioxane-4,6-dione
• CAS: 143261-88-5
• 化学式: C₁₃H₁₅NO₅
• 分子量: 265.266
• InChiKey: KXNLHHJZTLBKIY-UHFFFAOYSA-N

物化性质

• 沸点：
  497.9±45.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.93
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  81.7
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2,2-dimethyl-5-(3-oxo-1-cyclohexen-1-yl)aminomethylene-1,3-dioxane-4,6-dione 在 三氯氧磷 作用下， 以 二苯醚 为溶剂， 反应 2.5h， 生成 4-benzylamino-7,8-dihydroquinolin-5(6H)-one
  参考文献：
  名称：

  Synthesis of 1,2,3,4-Tetrahydroacridine and 5,6,7,8-Tetrahydroquinoline Derivatives as Potential Acetylcholinesterase Inhibitors

  摘要：

  This paper describes the synthesis of 1,3,4,5-tetrahydropyrazolo[3,4,5-kl]acridine (2) and 11-amino-1,3,4,5-tetrahydro-azepino[3,2-b]quinolin-2-one (3) obtained by Schmidt reaction of 9-amino-3,4-dihydroacridin-1(2H)-one (1) and the preparation of 4,5-dihydro-3H-isoxazolo[3,4,5-kl]acridine (7) obtained in the same manner starting f rom 3, 4-dihydroacridine-1, 9 (2H, 10H) -dione (6) . The corresponding pyrazolo[3,4,5-de]quinoline (20) and isoxazolo[5,4,3-de]quinoline (18) are also reported. The compounds have been prepared with the aim of studying their possible activity as acetylcholinesterase inhibitors.

  DOI：

  10.3987/com-92-5977
• 作为产物：
  描述：

  3-氨基-2-环己烯-1-酮 、 methoxymethylene Meldrum's acid 以 乙醇 为溶剂， 反应 2.0h， 以24%的产率得到2,2-dimethyl-5-(3-oxo-1-cyclohexen-1-yl)aminomethylene-1,3-dioxane-4,6-dione
  参考文献：
  名称：

  Synthesis of 1,2,3,4-Tetrahydroacridine and 5,6,7,8-Tetrahydroquinoline Derivatives as Potential Acetylcholinesterase Inhibitors

  摘要：

  This paper describes the synthesis of 1,3,4,5-tetrahydropyrazolo[3,4,5-kl]acridine (2) and 11-amino-1,3,4,5-tetrahydro-azepino[3,2-b]quinolin-2-one (3) obtained by Schmidt reaction of 9-amino-3,4-dihydroacridin-1(2H)-one (1) and the preparation of 4,5-dihydro-3H-isoxazolo[3,4,5-kl]acridine (7) obtained in the same manner starting f rom 3, 4-dihydroacridine-1, 9 (2H, 10H) -dione (6) . The corresponding pyrazolo[3,4,5-de]quinoline (20) and isoxazolo[5,4,3-de]quinoline (18) are also reported. The compounds have been prepared with the aim of studying their possible activity as acetylcholinesterase inhibitors.

  DOI：

  10.3987/com-92-5977