2-(3-chloro-pyridin-2-yl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid [4-chloro-2-(2-methanesulfinyl-propylcarbamoyl)-6-methyl-phenyl]-amide | 891195-39-4

• 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: 2-(3-chloro-pyridin-2-yl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid [4-chloro-2-(2-methanesulfinyl-propylcarbamoyl)-6-methyl-phenyl]-amide
• 英文别名: N-[4-chloro-2-methyl-6-(2-methylsulfinylpropylcarbamoyl)phenyl]-2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
• CAS: 891195-39-4
• 化学式: C₂₂H₂₀Cl₂F₃N₅O₃S
• 分子量: 562.4
• InChiKey: OQVQXXNXMCHYID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  125
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-(3-chloro-pyridin-2-yl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid [4-chloro-2-(2-methanesulfinyl-propylcarbamoyl)-6-methyl-phenyl]-amide 在 dirhodium tetraacetate 、 碘苯二乙酸 、 magnesium oxide 、 potassium carbonate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 N-[4-chloro-2-methyl-6-[2-(methylsulfonimidoyl)propylcarbamoyl]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：

  1-(3-氯吡啶-2-基)-3-(三氟甲基)-1H-吡唑-5-羧酸 在 吡啶 、 偶氮二甲酸二叔丁酯 、 甲基磺酰氯 、 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 、 乙腈 为溶剂， 生成 2-(3-chloro-pyridin-2-yl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid [4-chloro-2-(2-methanesulfinyl-propylcarbamoyl)-6-methyl-phenyl]-amide
  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

文献信息

• Anthranilamide Derivatives as Insecticides
  申请人：Jeanguenat Andre

  公开号：US20080146552A1

  公开（公告）日：2008-06-19

  Compounds of formula (I) wherein the substituents are as defined in claim 1 , and the agrochemically acceptable salts and all stereoisomers and tautomeric forms of the compounds of formula (I) can be used as agrochemical active ingredients and can be prepared in a manner known per se.

  式(I)中的化合物，其中取代基如权利要求1中所定义，并且化合物的所有立体异构体和互变异构体的农药可接受盐可以用作农药活性成分，并且可以按照已知的方式制备。
• WO2006/61200
  申请人：——

  公开号：——

  公开（公告）日：——
• ANTHRANILAMIDE DERIVATIVES AS INSECTICIDES
  申请人：Syngenta Participations AG

  公开号：EP1819695B1

  公开（公告）日：2008-12-17
• US7893092B2
  申请人：——

  公开号：US7893092B2

  公开（公告）日：2011-02-22
• Novel diamide insecticides: Sulfoximines, sulfonimidamides and other new sulfonimidoyl derivatives
  作者：Christian Gnamm、André Jeanguenat、Ana C. Dutton、Christoph Grimm、Daniel P. Kloer、Andrew J. Crossthwaite

  DOI：10.1016/j.bmcl.2012.03.106

  日期：2012.6

  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.