3-(2,4-difluorobenzeneselenonyl)-1H-[1,2,4]triazole-1-carboxylic acid diethylamide

• 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: 3-(2,4-difluorobenzeneselenonyl)-1H-[1,2,4]triazole-1-carboxylic acid diethylamide
• 英文别名: 3-(2,4-difluorophenyl)selenonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide
• 化学式: C₁₃H₁₄F₂N₄O₃Se
• 分子量: 391.236
• InChiKey: PHPITIHFXDKNKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.28
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  85.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-(2,4-difluorophenylselanyl)-1H-[1,2,4]triazole 在 Oxone 、 potassium carbonate 作用下， 以 甲醇 、 phosphate buffer 、 丙酮 为溶剂， 反应 0.66h， 生成 3-(2,4-difluorobenzeneselenonyl)-1H-[1,2,4]triazole-1-carboxylic acid diethylamide
  参考文献：
  名称：

  Synthesis and Herbicidal Activity of N,N-Diethyl-3-(arylselenonyl)-1H-1,2,4-triazole-1-carboxamide

  摘要：

  Based on the carbamoyl triazole herbicide Cafenstrole, 12 novel selenium-containing compounds were designed and synthesized. All of the compounds were characterized and confirmed by IR, H-1 NMR, and high-resolution mass spectroscopy. The bioassay tests showed that some of the compounds (C-2, C-4, C7-8, and C-12) exhibited good inhibitory activity against cucumber (Cucumis sativus L.) and semen euphorbiae (Leptochloa chinensis N.). Especially, compound C-6 inhibited the growth of cucumber and semen euphorbiae by > 90% at a concentration of 1.875 mu g/mL, and the inhibition of the compound on the rice (Oryza sativa L.) was only 8.3% at a concentration of 7.5 mu g/mL, which indicated a higher selectivity between weed and rice than that shown by Cafenstrole.

  DOI：

  10.1021/jf0609328

文献信息

• Synthesis and Herbicidal Activity of <i>N</i>,<i>N</i>-Diethyl-3-(arylselenonyl)-1<i>H</i>-1,2,4-triazole-1-carboxamide
  作者：Yanming Ma、Runhui Liu、Xiuying Gong、Zhong Li、Qingchun Huang、Haishui Wang、Gonghua Song

  DOI：10.1021/jf0609328

  日期：2006.10.1

  Based on the carbamoyl triazole herbicide Cafenstrole, 12 novel selenium-containing compounds were designed and synthesized. All of the compounds were characterized and confirmed by IR, H-1 NMR, and high-resolution mass spectroscopy. The bioassay tests showed that some of the compounds (C-2, C-4, C7-8, and C-12) exhibited good inhibitory activity against cucumber (Cucumis sativus L.) and semen euphorbiae (Leptochloa chinensis N.). Especially, compound C-6 inhibited the growth of cucumber and semen euphorbiae by > 90% at a concentration of 1.875 mu g/mL, and the inhibition of the compound on the rice (Oryza sativa L.) was only 8.3% at a concentration of 7.5 mu g/mL, which indicated a higher selectivity between weed and rice than that shown by Cafenstrole.