N-(4-chloro-2-((2-hydroxybenzyl)carbamoyl)-6-methylphenyl)-1-(3-chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | 1380510-14-4

• 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: N-(4-chloro-2-((2-hydroxybenzyl)carbamoyl)-6-methylphenyl)-1-(3-chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
• CAS: 1380510-14-4
• 化学式: C₂₅H₁₈Cl₂F₃N₅O₃
• 分子量: 564.351
• InChiKey: FSESARJOONSKEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.79
• 重原子数：
  38.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  109.14
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N-(4-chloro-2-((2-hydroxybenzyl)carbamoyl)-6-methylphenyl)-1-(3-chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide 在 dirhodium tetraacetate 、 碘苯二乙酸 、 偶氮二甲酸二叔丁酯 、 magnesium oxide 、 potassium carbonate 、 间氯过氧苯甲酸 、 硫代乙酸 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 生成 N-[4-chloro-2-methyl-6-[[2-(methylsulfonimidoyl)phenyl]methylcarbamoyl]phenyl]-2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
  参考文献：
  名称：

  Novel diamide insecticides: Sulfoximines, sulfonimidamides and other new sulfonimidoyl derivatives

  摘要：

  Novel insecticidal anthranilamides with elaborated sulfur-containing groups are described. The synthesis of compounds with functional groups such as sulfoximines and scarcely reported groups such as sulfonimidoyl hydrazides and hydroxylamides, their in vitro and in vivo biological activity as well as their physical properties are reported. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.106
• 作为产物：
  描述：

  2-氨基-5-氯-3-甲基苯甲酸 在 吡啶 、 甲基磺酰氯 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 生成 N-(4-chloro-2-((2-hydroxybenzyl)carbamoyl)-6-methylphenyl)-1-(3-chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
  参考文献：
  名称：

  Novel diamide insecticides: Sulfoximines, sulfonimidamides and other new sulfonimidoyl derivatives

  摘要：

  Novel insecticidal anthranilamides with elaborated sulfur-containing groups are described. The synthesis of compounds with functional groups such as sulfoximines and scarcely reported groups such as sulfonimidoyl hydrazides and hydroxylamides, their in vitro and in vivo biological activity as well as their physical properties are reported. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.106