2-methyl-6-methoxydispiro[[2]benzazepine-5,1'-cyclohexane-4',2''-[1,3]dioxolane]-2'-ene-1,3(2H,4H)-dione | 1296124-02-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 2-methyl-6-methoxydispiro[[2]benzazepine-5,1'-cyclohexane-4',2''-[1,3]dioxolane]-2'-ene-1,3(2H,4H)-dione
• CAS: 1296124-02-1
• 化学式: C₁₉H₂₁NO₅
• 分子量: 343.379
• InChiKey: DIGRCMOWUPMRTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.03
• 重原子数：
  25.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  65.07
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-methyl-6-methoxydispiro[[2]benzazepine-5,1'-cyclohexane-4',2''-[1,3]dioxolane]-2'-ene-1,3(2H,4H)-dione 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以93%的产率得到2-methyl-6-methoxy-1,2,3,4-tetrahydrodispiro[[2]benzazepine-5,1'-cyclohexane-4',2''-[1,3]dioxolane]-2'-ene
  参考文献：
  名称：

  Synthesis of Demethoxy-Lycoraminone

  摘要：

  Demethoxy-lycoraminone (8) was prepared in several steps starting from the appropriate benzo[c]azepine dione derivative (9). Ketone (9) was protected as a ketal group followed by methylation on the azepine nitrogen atom. After reduction of the imide carbonyl groups, deprotection, demethylation and ring closure were carried out as a one-pot reaction in methanesulfonic acid in the presence of racemic methionine.

  DOI：

  10.3987/com-10-12117
• 作为产物：
  描述：

  6-methoxyspiro[4H-2-benzazepine-5,4'-cyclohex-2-ene]-1,1',3-trione 在 2,4,6-三甲基吡啶对甲苯磺酸盐 、 potassium carbonate 作用下， 以 丙酮 、 苯 为溶剂， 反应 8.0h， 生成 2-methyl-6-methoxydispiro[[2]benzazepine-5,1'-cyclohexane-4',2''-[1,3]dioxolane]-2'-ene-1,3(2H,4H)-dione
  参考文献：
  名称：

  Synthesis of Demethoxy-Lycoraminone

  摘要：

  Demethoxy-lycoraminone (8) was prepared in several steps starting from the appropriate benzo[c]azepine dione derivative (9). Ketone (9) was protected as a ketal group followed by methylation on the azepine nitrogen atom. After reduction of the imide carbonyl groups, deprotection, demethylation and ring closure were carried out as a one-pot reaction in methanesulfonic acid in the presence of racemic methionine.

  DOI：

  10.3987/com-10-12117