6-(N-methyl)-aminomethyl-5-methoxy-2,2-dimethyl-2H-1-benzopyran | 357973-56-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 6-(N-methyl)-aminomethyl-5-methoxy-2,2-dimethyl-2H-1-benzopyran
• 英文别名: 1-(5-methoxy-2,2-dimethylchromen-6-yl)-N-methylmethanamine
• CAS: 357973-56-9
• 化学式: C₁₄H₁₉NO₂
• 分子量: 233.31
• InChiKey: SPHIMHCECQGWCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-(N-methyl)-aminomethyl-5-methoxy-2,2-dimethyl-2H-1-benzopyran 、 碘甲烷 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以79%的产率得到5-methoxy-2,2-dimethyl-2H-1-benzopyran-6-methylenetrimethylammonium iodide
  参考文献：
  名称：

  A short synthesis of 5-methoxy-2,2-dimethyl-2 H -1-benzopyran-6-propanoic acid methyl ester

  摘要：

  5-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-propanoic acid methyl ester was prepared in five steps and approximately 20% overall yield from 2,4-dihydroxybenzaldehyde. The two key reactions are the chromenylation between the unchelated hydroxyl group and C-3 of the resbenzaldehyde and the demethoxycarbonylation-alkylation of dimethyl malonate with a quaternary ammonium iodide. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00456-2
• 作为产物：
  描述：

  3-甲基-2-丁烯醛 在 吡啶 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙醇 、 丙酮 为溶剂， 反应 22.33h， 生成 6-(N-methyl)-aminomethyl-5-methoxy-2,2-dimethyl-2H-1-benzopyran
  参考文献：
  名称：

  A short synthesis of 5-methoxy-2,2-dimethyl-2 H -1-benzopyran-6-propanoic acid methyl ester

  摘要：

  5-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-propanoic acid methyl ester was prepared in five steps and approximately 20% overall yield from 2,4-dihydroxybenzaldehyde. The two key reactions are the chromenylation between the unchelated hydroxyl group and C-3 of the resbenzaldehyde and the demethoxycarbonylation-alkylation of dimethyl malonate with a quaternary ammonium iodide. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00456-2