4-(benzyloxy)-2-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-N-methylaniline | 1608152-84-6

• 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: 4-(benzyloxy)-2-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-N-methylaniline
• 英文别名: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-4-phenylmethoxyaniline
• CAS: 1608152-84-6
• 化学式: C₂₄H₂₆N₂O
• 分子量: 358.483
• InChiKey: CJRWSHPNYMDWDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  24.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(benzyloxy)-2-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-N-methylaniline 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以49%的产率得到3-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-4-(methylamino)phenol
  参考文献：
  名称：

  Investigation into selective debenzylation and ring cleavage of quinazoline based heterocycles

  摘要：

  The selective cleavage of different benzyl bonds within tetrahydroquinazoline and dihydroquinazolinone derived structures can be achieved by the usage of different reduction and debenzylation conditions thereby providing selective removal of O-benzyl protection groups as well as the cleavage of the ring structure within the quinazoline and quinazolinone systems. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.03.109
• 作为产物：
  描述：

  6-(benzyloxy)-1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 4-(benzyloxy)-2-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-N-methylaniline
  参考文献：
  名称：

  Investigation into selective debenzylation and ring cleavage of quinazoline based heterocycles

  摘要：

  The selective cleavage of different benzyl bonds within tetrahydroquinazoline and dihydroquinazolinone derived structures can be achieved by the usage of different reduction and debenzylation conditions thereby providing selective removal of O-benzyl protection groups as well as the cleavage of the ring structure within the quinazoline and quinazolinone systems. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.03.109