6-(3-nitrophenyl)-3-phenyl-1,2,4-triazine | 64493-73-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-(3-nitrophenyl)-3-phenyl-1,2,4-triazine
• 英文别名: 6-(3-nitro-phenyl)-3-phenyl-[1,2,4]triazine
• CAS: 64493-73-8
• 化学式: C₁₅H₁₀N₄O₂
• 分子量: 278.27
• InChiKey: PNMLNLXGMKEMBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(1-环戊烯基)吗啉 、 6-(3-nitrophenyl)-3-phenyl-1,2,4-triazine 以 neat (no solvent) 为溶剂， 反应 4.0h， 以55%的产率得到4-(3-aminophenyl)-1-phenyl-6,7-dihydro-5H-cyclopenteno[c]pyridine
  参考文献：
  名称：

  Unexpected reduction of the nitro group in (3-nitrophenyl)-1,2,4-triazines during their aza-Diels–Alder reaction with 1-morpholinocyclopentene

  摘要：

  Unexpected reduction of the nitro group to the amino one during aza-Diels-Alder reaction between (3-nitrophenyl)-1,2,4-triazines and 1-morpholinocyclopentene (neat, 200 degrees C, argon) occurred to furnish 4-(3-aminophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridines.

  DOI：

  10.1016/j.mencom.2013.07.010
• 作为产物：
  描述：

  苯甲酰肼 、 2-溴-3'-硝基苯乙酮 在 sodium acetate 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 12.0h， 生成 6-(3-nitrophenyl)-3-phenyl-1,2,4-triazine
  参考文献：
  名称：

  Unexpected reduction of the nitro group in (3-nitrophenyl)-1,2,4-triazines during their aza-Diels–Alder reaction with 1-morpholinocyclopentene

  摘要：

  Unexpected reduction of the nitro group to the amino one during aza-Diels-Alder reaction between (3-nitrophenyl)-1,2,4-triazines and 1-morpholinocyclopentene (neat, 200 degrees C, argon) occurred to furnish 4-(3-aminophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridines.

  DOI：

  10.1016/j.mencom.2013.07.010

文献信息

• Phenylglyoxal dihydrazones as unexpected products in the synthesis of 1,2,4-triazines by interaction of α-bromoacetophenones and arylhydrazides
  作者：D. S. Kopchuk、I. S. Kovalev、G. V. Zyryanov、A. F. Khasanov、A. S. Medvedevskikh、V. L. Rusinov、O. N. Chupakhin

  DOI：10.1007/s10593-013-1336-8

  日期：2013.10

  α-bromoacetophenones with aromatic carboxylic acid hydrazides, the formation of two reaction products was observed in certain cases, the expected 1,2,4-triazine and the phenylglyoxal dihydrazone as an unexpected product. The effect of substituents in the initial substrates and of the conditions of carrying out the synthesis on the direction of the reaction have been studied.

  在α-溴苯乙酮与芳族羧酸酰肼相互作用时，在某些情况下观察到两种反应产物的形成，即预期的1,2,4-三嗪和苯基乙二醛二hydr为意外产物。研究了初始底物中取代基的影响以及在反应方向上进行合成的条件。