6-(2,4-dichlorobenzyl)-3-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-one | 1256383-12-6

• 英文名称: 6-(2,4-dichlorobenzyl)-3-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-one
• CAS: 1256383-12-6
• 化学式: C₁₉H₁₅Cl₂N₃O₃S
• 分子量: 436.318
• InChiKey: VRPHTZUDVIWTDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.05
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  84.94
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  6-(2,4-dichlorobenzyl)-3-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-one 在 PPA 作用下， 反应 6.0h， 以65%的产率得到3-(2,4-dichlorobenzyl)-6-(4-methoxyphenyl)-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
  参考文献：
  名称：

  Synthesis and antimicrobial studies of thiazolotriazinones

  摘要：

  A series of 6-substitutedphenyl thiazolo-1,2,4-triazinones (8) were obtained by the initial reaction of 6-substituted arylmethyl-3-mercapto-1,2,4-triazin-5-ones (5) with substituted phenacyl bromides (6) and further followed by PPA cyclization. The structures of the newly synthesized compounds were confirmed by IR, H-1 NMR, Mass and analytical data. Compounds 8a, 8e, 8f and 8h exhibited good antimicrobial activity. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.08.011
• 作为产物：
  描述：

  alpha-溴-4-甲氧基苯乙酮 、 6-(2,4dichlorobenzyl)-3-mercapto-triazin-5(4H)-one 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 6-(2,4-dichlorobenzyl)-3-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-one
  参考文献：
  名称：

  Synthesis and antimicrobial studies of thiazolotriazinones

  摘要：

  A series of 6-substitutedphenyl thiazolo-1,2,4-triazinones (8) were obtained by the initial reaction of 6-substituted arylmethyl-3-mercapto-1,2,4-triazin-5-ones (5) with substituted phenacyl bromides (6) and further followed by PPA cyclization. The structures of the newly synthesized compounds were confirmed by IR, H-1 NMR, Mass and analytical data. Compounds 8a, 8e, 8f and 8h exhibited good antimicrobial activity. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.08.011