ethyl ((2-chloro-5-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)phenyl)sulfonyl)glycinate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl ((2-chloro-5-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)phenyl)sulfonyl)glycinate
• 英文别名: Ethyl 2-[[2-chloro-5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]phenyl]sulfonylamino]acetate；ethyl 2-[[2-chloro-5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]phenyl]sulfonylamino]acetate
• 化学式: C₁₆H₁₃Cl₂F₃N₂O₄S
• 分子量: 457.257
• InChiKey: OKCBWNIROPGKLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  93.7
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  ethyl ((2-chloro-5-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)phenyl)sulfonyl)glycinate 在 氯化亚砜 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 、 甲苯 为溶剂， 反应 12.0h， 生成 2-((2-chloro-5-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)phenyl)sulfonamido)-N-methylacetamide
  参考文献：
  名称：

  Synthesis and evaluation of substituted 3-(pyridin-2-yl)benzenesulfonamide derivatives as potent herbicidal agents

  摘要：

  In an attempt to obtain novel candidate compound for weed control, a series of newly substituted 3-(pyridin-2-yl)-benzenesulfonamide derivatives 2 were designed and synthesized using compound 117 as a lead compound by Intermediate Derivatization Methods and their herbicidal activities were evaluated. The herbicidal activity assay in greenhouse tests showed several compounds (2g, 21, 2j, 2k, 21, 2m, 2n and 2o) exhibited significant herbicidal activity for controlling velvet leaf (Abutilon theophrasti medic.) and youth-and-old age (Zinnia elegans jacq.) at 37.5 g a.i./ha. In particular, 2h was found to be the most potential candidate herbicide and was proved higher activity than the lead compound 117. The result of the weed controlling spectrum test showed that 2h could effectively control dayflower (Commelina tuberosa), bur beggarticks (Bidens tripartita linn.), youth-and-old age, cassia tora (Cassiaobtusifolia L), velvet leaf, purslane (Portulaca oleracea) and false daisy (Eclipta prostrata L.). In addition, the mixture of compound 2h and propanil could produce a synergistic effect and enhance herbicidal activity. The result of the herbicidal activity assay in field test demonstrated that 2h could effectively control dayflower and nightshade (Disambiguation) with long-lasting persistence. The present work indicates that 2h may be a novel compound candidate as a potential herbicide. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.08.037
• 作为产物：
  描述：

  2,3-二氯-5-三氟甲基吡啶 在 氯磺酸 、 四(三苯基膦)钯 、 potassium carbonate 、 三乙胺 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 18.0h， 生成 ethyl ((2-chloro-5-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)phenyl)sulfonyl)glycinate
  参考文献：
  名称：

  Synthesis and evaluation of substituted 3-(pyridin-2-yl)benzenesulfonamide derivatives as potent herbicidal agents

  摘要：

  In an attempt to obtain novel candidate compound for weed control, a series of newly substituted 3-(pyridin-2-yl)-benzenesulfonamide derivatives 2 were designed and synthesized using compound 117 as a lead compound by Intermediate Derivatization Methods and their herbicidal activities were evaluated. The herbicidal activity assay in greenhouse tests showed several compounds (2g, 21, 2j, 2k, 21, 2m, 2n and 2o) exhibited significant herbicidal activity for controlling velvet leaf (Abutilon theophrasti medic.) and youth-and-old age (Zinnia elegans jacq.) at 37.5 g a.i./ha. In particular, 2h was found to be the most potential candidate herbicide and was proved higher activity than the lead compound 117. The result of the weed controlling spectrum test showed that 2h could effectively control dayflower (Commelina tuberosa), bur beggarticks (Bidens tripartita linn.), youth-and-old age, cassia tora (Cassiaobtusifolia L), velvet leaf, purslane (Portulaca oleracea) and false daisy (Eclipta prostrata L.). In addition, the mixture of compound 2h and propanil could produce a synergistic effect and enhance herbicidal activity. The result of the herbicidal activity assay in field test demonstrated that 2h could effectively control dayflower and nightshade (Disambiguation) with long-lasting persistence. The present work indicates that 2h may be a novel compound candidate as a potential herbicide. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.08.037

文献信息

• Synthesis and evaluation of substituted 3-(pyridin-2-yl)benzenesulfonamide derivatives as potent herbicidal agents
  作者：Yong Xie、Hui-wei Chi、Ai-ying Guan、Chang-ling Liu、Hong-Juan Ma、Dong-liang Cui

  DOI：10.1016/j.bmc.2015.08.037

  日期：2016.2

  In an attempt to obtain novel candidate compound for weed control, a series of newly substituted 3-(pyridin-2-yl)-benzenesulfonamide derivatives 2 were designed and synthesized using compound 117 as a lead compound by Intermediate Derivatization Methods and their herbicidal activities were evaluated. The herbicidal activity assay in greenhouse tests showed several compounds (2g, 21, 2j, 2k, 21, 2m, 2n and 2o) exhibited significant herbicidal activity for controlling velvet leaf (Abutilon theophrasti medic.) and youth-and-old age (Zinnia elegans jacq.) at 37.5 g a.i./ha. In particular, 2h was found to be the most potential candidate herbicide and was proved higher activity than the lead compound 117. The result of the weed controlling spectrum test showed that 2h could effectively control dayflower (Commelina tuberosa), bur beggarticks (Bidens tripartita linn.), youth-and-old age, cassia tora (Cassiaobtusifolia L), velvet leaf, purslane (Portulaca oleracea) and false daisy (Eclipta prostrata L.). In addition, the mixture of compound 2h and propanil could produce a synergistic effect and enhance herbicidal activity. The result of the herbicidal activity assay in field test demonstrated that 2h could effectively control dayflower and nightshade (Disambiguation) with long-lasting persistence. The present work indicates that 2h may be a novel compound candidate as a potential herbicide. (C) 2015 Elsevier Ltd. All rights reserved.