3-morpholin-4-yl-5-phenyl-[1,2,4]triazine | 34103-51-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-morpholin-4-yl-5-phenyl-[1,2,4]triazine
• 英文别名: 3-Morpholino-5-phenyl-1,2,4-triazin；4-(5-phenyl-1,2,4-triazin-3-yl)morpholine
• CAS: 34103-51-0
• 化学式: C₁₃H₁₄N₄O
• 分子量: 242.28
• InChiKey: GOMOSVQPZNJWNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  51.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-morpholin-4-yl-5-phenyl-[1,2,4]triazine 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 生成 4-[1-ethyl-5-phenyl-6-(trideuteriomethoxy)-6H-1,2,4-triazin-3-yl]morpholine
  参考文献：
  名称：

  Rudakov, B. V.; Alekseev, S. G.; Charushin, V. N., Journal of Organic Chemistry USSR (English Translation), 1992, vol. 28, # 3.2, p. 479 - 487

  摘要：

  DOI：
• 作为产物：
  描述：

  Cambridge id 5732161 在 氯 作用下， 以 乙醇 、 水 为溶剂， 生成 3-morpholin-4-yl-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

• Lalezari,I. et al., Journal of Heterocyclic Chemistry, 1971, vol. 8, p. 689 - 691
  作者：Lalezari,I. et al.

  DOI：——

  日期：——
• 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.
• Rudakov, B. V.; Alekseev, S. G.; Charushin, V. N., Journal of Organic Chemistry USSR (English Translation), 1992, vol. 28, # 3.2, p. 479 - 487
  作者：Rudakov, B. V.、Alekseev, S. G.、Charushin, V. N.、Chupakhin, O. N.、Chertkov, V. A.、et al.

  DOI：——

  日期：——