ethyl N-[3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)-phenyl]-4-[(trifluoromethyl)-sulfinyl]-1H-pyrazol-5-yl]-aminoacetate | 1430089-22-7

• 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 N-[3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)-phenyl]-4-[(trifluoromethyl)-sulfinyl]-1H-pyrazol-5-yl]-aminoacetate
• 英文别名: 3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)4-trifluoromethylsulfinyl-5-ethoxycarbonylmethylamino-1H-pyrazole；Ethyl 2-[[5-cyano-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazol-3-yl]amino]acetate
• CAS: 1430089-22-7
• 化学式: C₁₆H₁₀Cl₂F₆N₄O₃S
• 分子量: 523.243
• InChiKey: NXQUJSXJOUTGEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  ethyl N-[3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)-phenyl]-4-[(trifluoromethyl)-sulfinyl]-1H-pyrazol-5-yl]-aminoacetate 在 sodium tetrahydroborate 、 zinc(II) chloride 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 (2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(2-((3-cyano-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-((trifluoromethyl)sulfinyl)-1H-pyrazol-5-yl)amino)ethoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
  参考文献：
  名称：

  Synthesis of a Series of Monosaccharide–Fipronil Conjugates and Their Phloem Mobility

  摘要：

  To test the effect of adding different monosaccharide groups to a non-phloem-mobile insecticide on the phloem mobility of the insecticide, a series of conjugates of different monosaccharides and fipronil were synthesized using the trichloroacetimidate method. Phloem mobility tests in castor bean (Ricinus communis L.) seedlings indicated that the phloem mobility of these conjugates varied markedly. L-Rhamnose fipronil and D-fucose fipronil displayed the highest phloem mobility among all of the tested conjugates. Conjugating hexose, pentose, or deoxysugar to fipronil through an O-glycosidic linkage can confer phloem mobility to fipronil in R. communis L. effectively, while the -OH orientation of the monosaccharide substantially affected the phloem mobility of the conjugates.

  DOI：

  10.1021/jf400888c
• 作为产物：
  描述：

  溴乙酸乙酯 、 氟虫腈 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以91%的产率得到ethyl N-[3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)-phenyl]-4-[(trifluoromethyl)-sulfinyl]-1H-pyrazol-5-yl]-aminoacetate
  参考文献：
  名称：

  Synthesis of a Series of Monosaccharide–Fipronil Conjugates and Their Phloem Mobility

  摘要：

  To test the effect of adding different monosaccharide groups to a non-phloem-mobile insecticide on the phloem mobility of the insecticide, a series of conjugates of different monosaccharides and fipronil were synthesized using the trichloroacetimidate method. Phloem mobility tests in castor bean (Ricinus communis L.) seedlings indicated that the phloem mobility of these conjugates varied markedly. L-Rhamnose fipronil and D-fucose fipronil displayed the highest phloem mobility among all of the tested conjugates. Conjugating hexose, pentose, or deoxysugar to fipronil through an O-glycosidic linkage can confer phloem mobility to fipronil in R. communis L. effectively, while the -OH orientation of the monosaccharide substantially affected the phloem mobility of the conjugates.

  DOI：

  10.1021/jf400888c

文献信息

• 多取代苯基吡唑衍生物及其制备方法和用途
  申请人：王泊理

  公开号：CN107629005A

  公开（公告）日：2018-01-26

  本发明公开了一种多取代苯基吡唑衍生物及其制备方法和在制作杀虫剂中的应用，其结构为：所述多取代苯基吡唑衍生物杀虫效果优于或相当于市场现有商品化农药。这一类化合物可用于农业、林业或卫生害虫的防治，尤其是抗药性害虫的防治，其制备方法收率高、步骤少、操作简单。