6-chloro-3-(N,N-diethylamino)-1-(N,N-dimethylamino)isoquinoline

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 6-chloro-3-(N,N-diethylamino)-1-(N,N-dimethylamino)isoquinoline
• 英文别名: 6-chloro-3-(N,N-diethylamino)-1-(N,N-dimethylamino)-isoquinoline；6-chloro-3-N,3-N-diethyl-1-N,1-N-dimethylisoquinoline-1,3-diamine
• 化学式: C₁₅H₂₀ClN₃
• 分子量: 277.797
• InChiKey: YQQZXEZORJCLSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  19.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (3-氯苯基)乙酰氯 在 四氯化钛 、 三氯氧磷 作用下， 以 乙醚 、 甲苯 为溶剂， 反应 3.25h， 生成 6-chloro-3-(N,N-diethylamino)-1-(N,N-dimethylamino)isoquinoline
  参考文献：
  名称：

  On the Synthesis and Basicity of 1,3-Diaminoisoquinolines

  摘要：

  A series of 6- and 7-substituted derivatives of 1,3-diaminoisoquinoline were synthesized by the reaction of N,N-diethylarylacetamides with POCl3 and then with N,N-dimethylcyanamide. The products were identified by means of spectroscopic methods and their pK(a) dissociation constants were determined.

  DOI：

  10.1007/s00706-002-0543-2

文献信息

• On the Synthesis and Basicity of 1,3-Diaminoisoquinolines
  作者：Wojciech Zieli?ski、Agnieszka Kudelko

  DOI：10.1007/s00706-002-0543-2

  日期：2003.2.1

  A series of 6- and 7-substituted derivatives of 1,3-diaminoisoquinoline were synthesized by the reaction of N,N-diethylarylacetamides with POCl3 and then with N,N-dimethylcyanamide. The products were identified by means of spectroscopic methods and their pK(a) dissociation constants were determined.