N-(4-trifluoromethylphenyl)-3-(4-chlorophenyl)-4-carbomethoxy-4-methyl-4,5-dihydro-1H-pyrazole-1-carboxamide | 99832-61-8

• 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-trifluoromethylphenyl)-3-(4-chlorophenyl)-4-carbomethoxy-4-methyl-4,5-dihydro-1H-pyrazole-1-carboxamide
• 英文别名: RH 3421；N-(4-trifluoromethylphenyl)-3-(4-chlorophenyl)-4-methyl-4-carbomethoxy-4,5-dihydro-1H-pyrazole-1-carboxamide；Methyl 3-(4-chlorophenyl)-4,5-dihydro-4-methyl-1-(((4-(trifluoromethyl)phenyl)amino)carbonyl)-1H-pyrazole-4-carboxylate；methyl 5-(4-chlorophenyl)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoyl]-3H-pyrazole-4-carboxylate
• CAS: 99832-61-8
• 化学式: C₂₀H₁₇ClF₃N₃O₃
• 分子量: 439.821
• InChiKey: NWYXCHPAIGQKNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  71
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  methyl 3-(4-chlorophenyl)-2-methyl-3-oxopropanoate 在 吡啶 、 sodium acetate 、 苄基三甲基氢氧化铵 、 一水合肼 、 溶剂黄146 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 12.0h， 生成 N-(4-trifluoromethylphenyl)-3-(4-chlorophenyl)-4-carbomethoxy-4-methyl-4,5-dihydro-1H-pyrazole-1-carboxamide
  参考文献：
  名称：

  Quantitative structure-activity relationships of insecticidal pyrazolines

  摘要：

  AbstractMethyl 3‐(4‐chlorophenyl)‐4‐methyl‐1‐[N‐(4‐substituted pheny1)carba‐moy1]‐2‐pyrazoline‐4‐carboxylates and related compounds were prepared. Their convulsant activity was determined as the minimum dose required to bring about the symptom within 1 h after injection against male adult American cockroaches, Periplaneta americana (L.). Insecticidal activity with metabolic inhibitors for oxidation and hydrolysis was measured 24 h after injection of the test compounds. Variations in each of the activities were analysed by using physicochemical substituent parameters and regression analysis. The findings indicated that the greater the hydrophobicity and the more the electron‐withdrawing property of the substituents, the higher were the activities. Variations in each of the two activities were parabolically related to the STERIMOL width parameter with an optimum value of about zero.

  DOI：

  10.1002/ps.2780420406

文献信息

• N-aryl-3-aryl-4,5-dihydro-1H-pyrazole-1-carboxamides and methods of
  申请人：Rohm and Haas

  公开号：US04863947A1

  公开（公告）日：1989-09-05

  This invention relates to novel N-aryl-3-aryl-4,5-dihydro-1H-pyrazole-1-carboxamide compounds which are useful as pesticides, compositions containing those compounds, methods of controlling pests and processes for preparing these compounds.

  本发明涉及新颖的N-芳基-3-芳基-4,5-二氢-1H-吡唑-1-甲酰胺化合物，这些化合物作为农药具有实用性，包含这些化合物的组合物，控制害虫的方法以及制备这些化合物的工艺。
• N-aryl-3-aryl-4-substituted-4,5-dihydro-1H-pyrazole-1-carboxamides and processes for their production
  申请人：ROHM AND HAAS COMPANY

  公开号：EP0466408A1

  公开（公告）日：1992-01-15

  This invention relates to novel N-aryl-3-aryl-4-substituted-4,5- dihydro-1H-pyrazole-1-carboxamide compounds which are useful as pesticides, compositions containing those compounds, method of controlling pests and process for preparing these compounds.

  本发明涉及可用作杀虫剂的新型 N-芳基-3-芳基-4-取代-4,5-二氢-1H-吡唑-1-甲酰胺化合物、含有这些化合物的组合物、防治害虫的方法以及制备这些化合物的工艺。
• N-aryl-3-aryl-4,5-dihydro-1H-pyrazole-1-carboxamides, processes for their production, insecticidal compositions containing them and methods for combatting insects
  申请人：ROHM AND HAAS COMPANY

  公开号：EP0153127B1

  公开（公告）日：1991-04-03
• EP0466408B1
  申请人：——

  公开号：EP0466408B1

  公开（公告）日：2000-01-12
• US4663341A
  申请人：——

  公开号：US4663341A

  公开（公告）日：1987-05-05