4-Chloro-1-methyl-1,4-dihydroisoquinoline | 1378774-10-7

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 4-Chloro-1-methyl-1,4-dihydroisoquinoline
• CAS: 1378774-10-7
• 化学式: C₁₀H₁₀ClN
• 分子量: 179.649
• InChiKey: QNIZPTSYAGHVBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  12.4
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-Chloro-1-methyl-1,4-dihydroisoquinoline 在 甲醇 、 air 作用下， 以 乙醚 为溶剂， 反应 0.5h， 生成 4-chloro-1-methyl-isoquinoline
  参考文献：
  名称：

  Direct 1,4-difunctionalization of isoquinoline

  摘要：

  The synthesis of 1,4-disubstituted isoquinoline derivatives was achieved in one step starting from isoquinoline. The process involved a nucleophilic addition in 1-position followed by an electrophilic trapping in 4-position. Interesting features were noted when C2Cl6 was used as the electrophile since different compounds could be isolated selectively only by adjusting the reaction parameters. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.07.125
• 作为产物：
  描述：

  异喹啉 、 甲基锂 在 乙二醇二甲醚 、 六氯乙烷 、 air 作用下， 以 乙醚 为溶剂， 反应 5.0h， 生成 4-Chloro-1-methyl-1,4-dihydroisoquinoline
  参考文献：
  名称：

  Direct 1,4-difunctionalization of isoquinoline

  摘要：

  The synthesis of 1,4-disubstituted isoquinoline derivatives was achieved in one step starting from isoquinoline. The process involved a nucleophilic addition in 1-position followed by an electrophilic trapping in 4-position. Interesting features were noted when C2Cl6 was used as the electrophile since different compounds could be isolated selectively only by adjusting the reaction parameters. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.07.125