6-methoxy-1,6-diphenyl-4-oxo-3,4,5,6-tetrahydro-2,3,5-triazine | 31283-03-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 6-methoxy-1,6-diphenyl-4-oxo-3,4,5,6-tetrahydro-2,3,5-triazine
• 英文别名: 5-methoxy-5,6-diphenyl-4,5-dihydro-2H-[1,2,4]triazin-3-one；4,5-Dihydro-5-methoxy-5,6-diphenyl-1,2,4-triazin-3(2H)-one；5-methoxy-5,6-diphenyl-2,4-dihydro-1,2,4-triazin-3-one
• CAS: 31283-03-1
• 化学式: C₁₆H₁₅N₃O₂
• 分子量: 281.314
• InChiKey: WRNACDXXCOWQGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  62.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-methoxy-1,6-diphenyl-4-oxo-3,4,5,6-tetrahydro-2,3,5-triazine 以 氯仿 为溶剂， 反应 3.0h， 以29%的产率得到3-羟基-5,6-二苯基-1,2,4-三嗪
  参考文献：
  名称：

  Selective access to new semicarbazones and thiosemicarbazones derived from benzil. Study of their conversion reactions

  摘要：

  New Schiff bases from benzil with semicarbazide and thiosemicarbazide are reported. An open chain molecule, benzilbissemicarbazone 1 was prepared in presence of lithium hydroxide. A cycle 6-methoxy-1,6-diphenyl-4-thio-3,4,5,6-tetrahydro-2,3,5-triazine 7 was obtained from thiosemicarbazide. A cyclic molecule, 1,6-diphenyl-4-oxo-3,4,5,6-tetrahydro-2,3,5-triazine 4 was produced from the recrystallization of 3 in chloroform. A new macrocyclic complex 8 was isolated from the open chain 6 in the presence of iron (III) chloride hexahydrated. Compounds 1, 2 convert into the cyclic 3 heated under reflux. In addition, we have got an iron complex 5 of 1 using the compound 2 as precursor. The crystal structure of 7 was obtained by single crystal X-Ray diffraction. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00667-x
• 作为产物：
  描述：

  联苯甲酰 、 alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 12.0h， 生成 6-methoxy-1,6-diphenyl-4-oxo-3,4,5,6-tetrahydro-2,3,5-triazine
  参考文献：
  名称：

  Selective access to new semicarbazones and thiosemicarbazones derived from benzil. Study of their conversion reactions

  摘要：

  New Schiff bases from benzil with semicarbazide and thiosemicarbazide are reported. An open chain molecule, benzilbissemicarbazone 1 was prepared in presence of lithium hydroxide. A cycle 6-methoxy-1,6-diphenyl-4-thio-3,4,5,6-tetrahydro-2,3,5-triazine 7 was obtained from thiosemicarbazide. A cyclic molecule, 1,6-diphenyl-4-oxo-3,4,5,6-tetrahydro-2,3,5-triazine 4 was produced from the recrystallization of 3 in chloroform. A new macrocyclic complex 8 was isolated from the open chain 6 in the presence of iron (III) chloride hexahydrated. Compounds 1, 2 convert into the cyclic 3 heated under reflux. In addition, we have got an iron complex 5 of 1 using the compound 2 as precursor. The crystal structure of 7 was obtained by single crystal X-Ray diffraction. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00667-x

文献信息

• Selective access to new semicarbazones and thiosemicarbazones derived from benzil. Study of their conversion reactions
  作者：Agueda Arquero、Marta Cañadas、Martín Martinez-Ripoll、Ma Antonia Mendiola、Ana Rodriguez

  DOI：10.1016/s0040-4020(98)00667-x

  日期：1998.9

  New Schiff bases from benzil with semicarbazide and thiosemicarbazide are reported. An open chain molecule, benzilbissemicarbazone 1 was prepared in presence of lithium hydroxide. A cycle 6-methoxy-1,6-diphenyl-4-thio-3,4,5,6-tetrahydro-2,3,5-triazine 7 was obtained from thiosemicarbazide. A cyclic molecule, 1,6-diphenyl-4-oxo-3,4,5,6-tetrahydro-2,3,5-triazine 4 was produced from the recrystallization of 3 in chloroform. A new macrocyclic complex 8 was isolated from the open chain 6 in the presence of iron (III) chloride hexahydrated. Compounds 1, 2 convert into the cyclic 3 heated under reflux. In addition, we have got an iron complex 5 of 1 using the compound 2 as precursor. The crystal structure of 7 was obtained by single crystal X-Ray diffraction. (C) 1998 Elsevier Science Ltd. All rights reserved.