(E)-methyl 3-methoxy-2-(2-(6-phenoxypyrimidin-4-yloxy)phenyl)acrylate | 131860-27-0

• 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: (E)-methyl 3-methoxy-2-(2-(6-phenoxypyrimidin-4-yloxy)phenyl)acrylate
• 英文别名: methyl (E)-3-methoxy-2-[2-(6-phenoxypyrimidin-4-yl)oxyphenyl]prop-2-enoate
• CAS: 131860-27-0
• 化学式: C₂₁H₁₈N₂O₅
• 分子量: 378.384
• InChiKey: OZNORMWRDZLILJ-GHRIWEEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  79.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-苄氧基苯硼酸 在 potassium phosphate 、 四(三苯基膦)钯 、 10% palladium on activated carbon 、 氢气 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 90.0 ℃ 、405.33 kPa 条件下， 反应 19.0h， 生成 (E)-methyl 3-methoxy-2-(2-(6-phenoxypyrimidin-4-yloxy)phenyl)acrylate
  参考文献：
  名称：

  Concise and modular synthesis of regioisomeric haptens for the production of high-affinity and stereoselective antibodies to the strobilurin azoxystrobin

  摘要：

  The immune response to regioisomeric haptens of azoxystrobin with varied derivatization sites was studied. Based on the Sonogashira and Suzuki-Miyaura couplings and following a straightforward modular design, we have synthesized four haptens with the same linker anchored through C-C bonds and located at different sites of the molecule. The most stereoselective antibodies were produced from immunogens with the spacer arm at a distal position from the beta-methoxyacrylate moiety characteristic of strobilurins. Moreover, we observed that assay cross-reactivity was reliant on the functionalization site of the competitor derivative. Finally, the antibody binding site was explored using synthetic chemical analogues. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2010.11.054

文献信息

• Synergistic Fungicidal Mixtures and Compositions Comprising 5-Fluoro-4-Imino-3-Methyl-1-Tosyl-3,4-Dihydropyrimidin-2(1H)-One for Fungal Control (MSI)
  申请人：Adama Makhteshim Ltd.

  公开号：US20200359625A1

  公开（公告）日：2020-11-19

  A fungicidal composition containing a fungicidally effective amount of the compound of Formula I: 5-fluoro-4-imino-3-methyl-1-tosyl-3,4-dihydropyrimidin-2(1H)-one, and at least one fungicide to provide synergistic control of selected fungi wherein the at least one fungicide is a multi-site inhibitor or a strobilurin inhibitor.