3-(1-ethyl-6-methyl-1,2-dihydroquinoline-2-methylene)-5-phenyl-1,2,4-triazine

• 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: 3-(1-ethyl-6-methyl-1,2-dihydroquinoline-2-methylene)-5-phenyl-1,2,4-triazine
• 英文别名: (2E)-1-ethyl-6-methyl-2-[(5-phenyl-1,2,4-triazin-3-yl)methylidene]quinoline
• 化学式: C₂₂H₂₀N₄
• 分子量: 340.428
• InChiKey: BIKODZSXMGDRLB-XMHGGMMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  Cambridge id 5732161 在 氯 、 三乙胺 作用下， 以 水 、 二甲基亚砜 为溶剂， 生成 3-(1-ethyl-6-methyl-1,2-dihydroquinoline-2-methylene)-5-phenyl-1,2,4-triazine
  参考文献：
  名称：

  New possibilities of 1,2,4-triazines functionalization: first examples of synthesis and structure of boron-containing 1,2,4-triazines

  摘要：

  By oxidation of 3-thioderivatives of 1,2,4-triazine 1a,b 3-alkylsulfonic derivatives 2a,b were obtained. Interaction of the sulfonic derivative 2a with indole leads to 3-oxo-5-indolyl-5-phenyl-as-triazine 4. The sulfone 2a reacts with 1-ethyl-2,6-dimethylquinolinium iodide to give 3-(1-ethyl-6-methyl-1,2-dihydroquinoline-2-methylene)-5-phenyl-1,2,4-triazine 5. The 3-morpholino- 3 and 3-thioderivatives 6, 7a,b of as-triazine were obtained by interaction of the sulfone 2 with morpholine and organic boron-containing thiols. The crystal structure of boron-containing derivative of as-triazine 7b was investigated by X-ray analysis. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.02.121

文献信息

• New possibilities of 1,2,4-triazines functionalization: first examples of synthesis and structure of boron-containing 1,2,4-triazines
  作者：Yuri Azev、Enno Lork、Thomas Duelcks、Detlef Gabel

  DOI：10.1016/j.tetlet.2004.02.121

  日期：2004.4

  By oxidation of 3-thioderivatives of 1,2,4-triazine 1a,b 3-alkylsulfonic derivatives 2a,b were obtained. Interaction of the sulfonic derivative 2a with indole leads to 3-oxo-5-indolyl-5-phenyl-as-triazine 4. The sulfone 2a reacts with 1-ethyl-2,6-dimethylquinolinium iodide to give 3-(1-ethyl-6-methyl-1,2-dihydroquinoline-2-methylene)-5-phenyl-1,2,4-triazine 5. The 3-morpholino- 3 and 3-thioderivatives 6, 7a,b of as-triazine were obtained by interaction of the sulfone 2 with morpholine and organic boron-containing thiols. The crystal structure of boron-containing derivative of as-triazine 7b was investigated by X-ray analysis. (C) 2004 Elsevier Ltd. All rights reserved.