methyl (E)-3-methoxy-2-[2-[[6-(trifluoromethyl)-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]oxymethyl]phenyl]prop-2-enoate | 1374026-62-6

• 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: methyl (E)-3-methoxy-2-[2-[[6-(trifluoromethyl)-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]oxymethyl]phenyl]prop-2-enoate
• CAS: 1374026-62-6
• 化学式: C₂₄H₁₉F₆N₃O₄
• 分子量: 527.423
• InChiKey: LLRATESZCYCWPL-QGOAFFKASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  82.6
• 氢给体数：
  1
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  对三氟甲基苯胺 在 盐酸 、 potassium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 5.0h， 生成 methyl (E)-3-methoxy-2-[2-[[6-(trifluoromethyl)-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]oxymethyl]phenyl]prop-2-enoate
  参考文献：
  名称：

  Synthesis and acaricidal activity of strobilurin-pyrimidine derivatives

  摘要：

  Pyriminostrobin, a new acaricide, was discovered in our previous studies. Because introducing fluorine into organic compounds can increase bioactivity, pyriminostrobin was modified as a series of strobilurin-pyrimidine derivatives for biological screening. The compounds were characterized by H-1 NMR, MS and elemental analysis. Preliminary bioassays demonstrated that compounds 7e and 7i exhibited significant control against Tetranychus cinnabarinus (Boisd.) at 0.625 mg L-1, and their acaricidal potencies were higher than pyriminostrobin in a greenhouse. The relationship between structure and acaricidal activity was also studied. (C) 2013 Chang-Ling Liu and Jun-Biao Chang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.10.006

文献信息

• Synthesis and acaricidal activity of strobilurin-pyrimidine derivatives
  作者：Bao-Shan Chai、Chang-Ling Liu、Hui-Chao Li、Shao-Wu Liu、Ying Xu、Yu-Quan Song、Jun-Biao Chang

  DOI：10.1016/j.cclet.2013.10.006

  日期：2014.1

  Pyriminostrobin, a new acaricide, was discovered in our previous studies. Because introducing fluorine into organic compounds can increase bioactivity, pyriminostrobin was modified as a series of strobilurin-pyrimidine derivatives for biological screening. The compounds were characterized by H-1 NMR, MS and elemental analysis. Preliminary bioassays demonstrated that compounds 7e and 7i exhibited significant control against Tetranychus cinnabarinus (Boisd.) at 0.625 mg L-1, and their acaricidal potencies were higher than pyriminostrobin in a greenhouse. The relationship between structure and acaricidal activity was also studied. (C) 2013 Chang-Ling Liu and Jun-Biao Chang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.