4-hydroxymethyl-6-methylspirobenzo[f]isoindoline-2,4'-morpholinium chloride | 1239016-81-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-hydroxymethyl-6-methylspirobenzo[f]isoindoline-2,4'-morpholinium chloride
• CAS: 1239016-81-9
• 化学式: C₁₈H₂₂NO₂*Cl
• 分子量: 319.831
• InChiKey: IRCJEEZPSUJUDD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.49
• 重原子数：
  22.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  29.46
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-hydroxymethyl-6-methylspirobenzo[f]isoindoline-2,4'-morpholinium chloride 在 potassium hydroxide 作用下， 以 水 为溶剂， 以1.98 g的产率得到N-(8-methyl-1,3-dihydronaphtho[1,2-c]furan-4-yl)methylmorpholine
  参考文献：
  名称：

  Base catalyzed intramolecular cycloaddition of dialkyl(4-hydroxybutyn-2-yl)[3-(p-tolyl)propyn-2-yl]ammonium chlorides and intramolecular recyclization of the products obtained

  摘要：

  Dialkyl(4-hydroxybutyn-2-yl)[3-(p-tolyl)propyn-2-yl]ammonium chlorides undergo a diene synthesis type intramolecular cyclization in aqueous base medium to give 2,2-dialkyl-4-hydroxymethyl-6-methyl-benzo[f]isoindolinium chlorides. Under conditions of aqueous base fission intramolecular cyclization of the latter gives 4-dialkylaminomethyl-8-methyl-1,3-dihydronaphtho[1,2-c]furans.

  DOI：

  10.1007/s10593-010-0486-1
• 作为产物：
  描述：

  N-(4-hydroxybut-2-yn-1-yl)-N-[3-(p-tolyl)prop-2-yn-1-yl]morpholinium chloride 在 potassium hydroxide 作用下， 以 水 为溶剂， 以73%的产率得到4-hydroxymethyl-6-methylspirobenzo[f]isoindoline-2,4'-morpholinium chloride
  参考文献：
  名称：

  Base catalyzed intramolecular cycloaddition of dialkyl(4-hydroxybutyn-2-yl)[3-(p-tolyl)propyn-2-yl]ammonium chlorides and intramolecular recyclization of the products obtained

  摘要：

  Dialkyl(4-hydroxybutyn-2-yl)[3-(p-tolyl)propyn-2-yl]ammonium chlorides undergo a diene synthesis type intramolecular cyclization in aqueous base medium to give 2,2-dialkyl-4-hydroxymethyl-6-methyl-benzo[f]isoindolinium chlorides. Under conditions of aqueous base fission intramolecular cyclization of the latter gives 4-dialkylaminomethyl-8-methyl-1,3-dihydronaphtho[1,2-c]furans.

  DOI：

  10.1007/s10593-010-0486-1