2,2,3-trimethyl-1,2-dihydrobenzo[f]isoquinolin-3-ium iodide | 1309791-91-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢异喹啉
• 英文名称: 2,2,3-trimethyl-1,2-dihydrobenzo[f]isoquinolin-3-ium iodide
• 英文别名: 2,2,3-Trimethyl-1,2-dihydrobenzo[f]isoquinolinium iodide；2,2,3-trimethyl-1H-benzo[f]isoquinolin-3-ium;iodide
• CAS: 1309791-91-0
• 化学式: C₁₆H₁₈N*I
• 分子量: 351.23
• InChiKey: ZYZHLOOFJMQRNO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.24
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,3-茚满二酮 、 2,2,3-trimethyl-1,2-dihydrobenzo[f]isoquinolin-3-ium iodide 在 甲醇 、 sodium 作用下， 反应 1.5h， 以54%的产率得到2-(2,2,3-trimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinolin-4-yl)-1,3-indanedione
  参考文献：
  名称：

  Synthesis of 2,2-dimethyl-1,2-dihydrobenzo[f]-isoquinolines displaying antifungal activity

  摘要：

  The reaction of 2,2-dimethyl-1,2-dihydrobenzo[f]isoquinoline with malonic acid gave (2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinolin-4-yl) acetic acid, the acid chloride of which readily forms esters with alcohols and phenols. Reaction of the same azomethine with thioglycolic acid leads to (2,2-dimethyl-1,2,3,4-tetrahydro-benzo[f]isoquinolin-4-yl) thioacetic acid. Activation of the initial azomethine by iodomethylation enables reaction with 1,3-indanedione to be carried out. The obtained substances display antifungal action.

  DOI：

  10.1007/s10593-011-0694-3
• 作为产物：
  描述：

  2,2-dimethyl-1,2-dihydrobenzoisoquinoline 、 碘甲烷 以 异丙醇 为溶剂， 反应 2.0h， 以92%的产率得到2,2,3-trimethyl-1,2-dihydrobenzo[f]isoquinolin-3-ium iodide
  参考文献：
  名称：

  Synthesis of 2,2-dimethyl-1,2-dihydrobenzo[f]-isoquinolines displaying antifungal activity

  摘要：

  The reaction of 2,2-dimethyl-1,2-dihydrobenzo[f]isoquinoline with malonic acid gave (2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinolin-4-yl) acetic acid, the acid chloride of which readily forms esters with alcohols and phenols. Reaction of the same azomethine with thioglycolic acid leads to (2,2-dimethyl-1,2,3,4-tetrahydro-benzo[f]isoquinolin-4-yl) thioacetic acid. Activation of the initial azomethine by iodomethylation enables reaction with 1,3-indanedione to be carried out. The obtained substances display antifungal action.

  DOI：

  10.1007/s10593-011-0694-3

文献信息

• Synthesis of 2,2-dimethyl-1,2-dihydrobenzo[f]-isoquinolines displaying antifungal activity
  作者：O. V. Surikova、A. V. Zachinyaeva、A. G. Mikhailovskii、Ya. V. Zachinyaev

  DOI：10.1007/s10593-011-0694-3

  日期：2011.3

  The reaction of 2,2-dimethyl-1,2-dihydrobenzo[f]isoquinoline with malonic acid gave (2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinolin-4-yl) acetic acid, the acid chloride of which readily forms esters with alcohols and phenols. Reaction of the same azomethine with thioglycolic acid leads to (2,2-dimethyl-1,2,3,4-tetrahydro-benzo[f]isoquinolin-4-yl) thioacetic acid. Activation of the initial azomethine by iodomethylation enables reaction with 1,3-indanedione to be carried out. The obtained substances display antifungal action.