3-(2-(4-benzylpiperazin-1-yl)ethyl)benzo[d][1,2,3]triazin-4(3H)-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并-1,2,3-三嗪类化合物
• 英文名称: 3-(2-(4-benzylpiperazin-1-yl)ethyl)benzo[d][1,2,3]triazin-4(3H)-one
• 英文别名: 3-[2-(4-Benzylpiperazin-1-yl)ethyl]-1,2,3-benzotriazin-4-one
• 化学式: C₂₀H₂₃N₅O
• 分子量: 349.436
• InChiKey: ASTXSCFJEYLDMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  51.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,2,3-苯并三嗪-4-酮 在 potassium carbonate 作用下， 以 四氢呋喃 、 丙酮 、 乙腈 为溶剂， 反应 0.33h， 生成 3-(2-(4-benzylpiperazin-1-yl)ethyl)benzo[d][1,2,3]triazin-4(3H)-one
  参考文献：
  名称：

  Synthesis and nematicidal evaluation of 1,2,3-benzotriazin-4-one derivatives containing piperazine as linker against Meloidogyne incognita

  摘要：

  To explore new skeleton with nematicidal activity, a series of novel 1,2,3-benzotriazin-4-one derivatives containing piperazine as linker were synthesized and varied fragments were also introduced to increase structure diversity of the new skeleton. Their inhibitory activities in vivo were evaluated against Meloidogyne incognita. The newly prepared compounds A6, A8, A21, A28 and A38 exhibited more than 50% inhibition at the concentration of 20 mg/L. Especially compound A6 displayed 71.4% inhibition against Meloidogyne incognita at the concentration of 20 mg/L. The nematicidal activities varied significantly depending on the types and positions of the substituents, which provided guidance for further structure modification. (C) 2019 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cclet.2019.02.033

文献信息

• Synthesis and nematicidal evaluation of 1,2,3-benzotriazin-4-one derivatives containing piperazine as linker against Meloidogyne incognita
  作者：Xiulei Chen、Haowu Jia、Zhong Li、Xiaoyong Xu

  DOI：10.1016/j.cclet.2019.02.033

  日期：2019.6

  To explore new skeleton with nematicidal activity, a series of novel 1,2,3-benzotriazin-4-one derivatives containing piperazine as linker were synthesized and varied fragments were also introduced to increase structure diversity of the new skeleton. Their inhibitory activities in vivo were evaluated against Meloidogyne incognita. The newly prepared compounds A6, A8, A21, A28 and A38 exhibited more than 50% inhibition at the concentration of 20 mg/L. Especially compound A6 displayed 71.4% inhibition against Meloidogyne incognita at the concentration of 20 mg/L. The nematicidal activities varied significantly depending on the types and positions of the substituents, which provided guidance for further structure modification. (C) 2019 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.