3,6-diphenyl-5-phenylethynyl-1,2,4-triazine | 94398-36-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 3,6-diphenyl-5-phenylethynyl-1,2,4-triazine
• 英文别名: 3,6-diphenyl-5-(2-phenylethynyl)-1,2,4-triazine
• CAS: 94398-36-4
• 化学式: C₂₃H₁₅N₃
• 分子量: 333.392
• InChiKey: ZEDLFTAWSIPVJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,6-diphenyl-5-phenylethynyl-1,2,4-triazine 在 草酸 作用下， 以 甲苯 为溶剂， 生成 2-(3,6-diphenyl-1,2,4-triazin-5-yl)-1-phenylethanol
  参考文献：
  名称：

  Konno, Shoetsu; Fujimura, Satoshi; Yamanaka, Hiroshi, Heterocycles, 1984, vol. 22, # 10, p. 2245 - 2248

  摘要：

  DOI：
• 作为产物：
  描述：

  5-氯-3,6-二苯基-1,2,4-三嗪 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 sodium iodide 作用下， 以 乙酸乙酯 、 三乙胺 为溶剂， 反应 12.0h， 生成 3,6-diphenyl-5-phenylethynyl-1,2,4-triazine
  参考文献：
  名称：

  Konno, Shoetsu; Fujimura, Satoshi; Yamanaka, Hiroshi, Heterocycles, 1984, vol. 22, # 10, p. 2245 - 2248

  摘要：

  DOI：

文献信息

• One-step synthesis of 1,4-bis(het)arylisoquinolines by the reaction of 1,2,4-triazines with arynes
  作者：Dmitry S. Kopchuk、Igor L. Nikonov、Albert F. Khasanov、Sravya Gundala、Alexey P. Krinochkin、Pavel А. Slepukhin、Grigory V. Zyryanov、Padmavathi Venkatapuram、Oleg N. Chupakhin、Valery N. Charushin

  DOI：10.1007/s10593-019-02565-8

  日期：2019.10

  The reaction of 3,6-bis(het)aryl-1,2,4-triazines (hetaryl ≠ 2-pyridyl) with aryne intermediates generated in situ was studied. As a result, novel 1,4-bis(het)arylisoquinolines were synthesized with yields of up to 45%. The main rules of the reactions were studied, and the obtained experimental data were compared with those described in the literature.

  研究了3,6-双（杂）芳基-1,2,4-三嗪（杂芳基≠2-吡啶基）与原位生成的芳烃中间体的反应。结果，合成了新的1，4-双（杂）芳基异喹啉，产率高达45％。研究了反应的主要规律，并将获得的实验数据与文献中描述的进行了比较。
• Direct introduction of acetylene moieties into azines by methodology
  作者：Anton M. Prokhorov、Mieczysław Mąkosza、Oleg N. Chupakhin

  DOI：10.1016/j.tetlet.2009.01.070

  日期：2009.4

  The N-oxides of azines 1a-g react with lithium and/or potassium acetylides to give the corresponding ethynylazines 2a-g. Reaction with lithium acetylide requires subsequent acylation of the intermediate anionic adduct for rearomatization whereas in the case of potassium acetylide, auto-aromatization takes place. (C) 2009 Published by Elsevier Ltd.
• CuCl2 induced reactions of 6-ethynyl- and 6-cyano-5-aryl-2,2′-bipyridines with various N- and O-nucleophiles in comparison with the reactions of relative 1,2,4-triazines
  作者：Anton M. Prokhorov、Pavel A. Slepukhin、Dmitry N. Kozhevnikov

  DOI：10.1016/j.jorganchem.2008.02.016

  日期：2008.5

  Meanwhile 5-aryl-6-cyano-2,2'-bipyridines are very stable towards various nucleophiles, addition copper(II) chloride to the reactional mixture facilitates nucleophilic addition to the cyano group dramatically. The cyanobipyridines react easily with water, methanol, ethanolamine in the presence of CuCl2 yielding well-crystallized complexes containing carboxylates, carboximidates or carboxamidines as ligands. 5-Cyano-1,2,4-triazines are more active in the reactions due to higher electron-withdrawing properties of this heterocycle. Due to the same reason acetylene moiety of 5-ethynyl-3-pyridyl-1,2,4-triazine adds water quite easily but in the presence of copper chloride as well. (C) 2008 Elsevier B.V. All rights reserved.
• KONNO, SHOETSU;FUJIMURA, SATOSHI;YAMANAKA, HIROSHI, HETEROCYCLES, 1984, 22, N 10, 2245-2248
  作者：KONNO, SHOETSU、FUJIMURA, SATOSHI、YAMANAKA, HIROSHI

  DOI：——

  日期：——