(5-methyl-2-propan-2-ylcyclohexyl) 2-(2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinolin-4-yl)acetate;hydrochloride | 1309791-96-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: (5-methyl-2-propan-2-ylcyclohexyl) 2-(2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinolin-4-yl)acetate;hydrochloride
• CAS: 1309791-96-5
• 化学式: C₂₇H₃₇NO₂*ClH
• 分子量: 444.057
• InChiKey: ILQZDGISLFOZQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.62
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  38.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,2-dimethyl-1,2-dihydrobenzoisoquinoline 在 氯化亚砜 作用下， 反应 1.67h， 生成 (5-methyl-2-propan-2-ylcyclohexyl) 2-(2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinolin-4-yl)acetate;hydrochloride
  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.