4-(4-氯苯基)-5-(三氟甲基)-1H-吡咯-3-腈 | 142154-88-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 中文名称: 4-(4-氯苯基)-5-(三氟甲基)-1H-吡咯-3-腈
• 英文名称: 4-(4-Chlorophenyl)-5-trifluoromethylpyrrole-3-carbonitrile
• 英文别名: 4-(p-Chlorophenyl)-5(trifluoromethyl)-pyrrole-3-carbonitrile；1H-Pyrrole-3-carbonitrile, 4-(4-chlorophenyl)-5-(trifluoromethyl)-；4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
• CAS: 142154-88-9
• 化学式: C₁₂H₆ClF₃N₂
• 分子量: 270.641
• InChiKey: FTMQNVOYTSHZKR-UHFFFAOYSA-N

物化性质

• 沸点：
  421.4±45.0 °C(Predicted)
• 密度：
  1.48±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  39.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(4-氯苯基)-5-(三氟甲基)-1H-吡咯-3-腈 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氢呋喃 为溶剂， 生成 2-Bromo-4-(4-chlorophenyl)-5-trifluoromethylpyrrole-3-carbonitrile
  参考文献：
  名称：

  The synthesis of pyrroles with insecticidal activity

  摘要：

  AbstractThe 2‐aryl‐4‐bromo‐5‐trifluoromethylpyrrole‐3‐carbonitriles represent a new class of insect control agents. The high insectidical activity observed in this series prompted us to investigate the preparation of regioisomeric arylhalotrifluoromethylpyrrole carbonitriles. The synthesis and biological activity of eight of the twelve possible regioisomers are described and discussed.

  DOI：

  10.1002/ps.2780410312
• 作为产物：
  描述：

  3-(4-氯苯基)-1,1,1-三氟丙酮 在 盐酸羟胺 、 potassium tert-butylate 、 sodium acetate 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 1.0h， 生成 4-(4-氯苯基)-5-(三氟甲基)-1H-吡咯-3-腈
  参考文献：
  名称：

  The synthesis of pyrroles with insecticidal activity

  摘要：

  AbstractThe 2‐aryl‐4‐bromo‐5‐trifluoromethylpyrrole‐3‐carbonitriles represent a new class of insect control agents. The high insectidical activity observed in this series prompted us to investigate the preparation of regioisomeric arylhalotrifluoromethylpyrrole carbonitriles. The synthesis and biological activity of eight of the twelve possible regioisomers are described and discussed.

  DOI：

  10.1002/ps.2780410312

文献信息

• Process for the preparation of insecticidal, nematicidal and acaricidal
  申请人：American Cyanamid Company

  公开号：US05106985A1

  公开（公告）日：1992-04-21

  There is provided a process for the preparation of 4-substituted-5-(trifluoromethyl)pyrrole-3-carbonitrile compounds which are useful as insecticidal, nematicidal and acaricidal agents.

  提供了一种制备4-取代-5-(三氟甲基)吡咯-3-腈类化合物的方法，这些化合物可用作杀虫、杀线虫和杀螨剂。
• Process for the preparation of insecticidal, acaricidal and nematicidal 4-substituted-5-(trifluoromethyl)pyrrole-3-carbonitrile compounds
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0485716A1

  公开（公告）日：1992-05-20

  There is provided a process for the preparation of 4-substituted-5-(trifluoromethyl)pyrrole-3-carbonitrile compounds which are useful as insecticidal, nematicidal and acaricidal agents.

  提供了一种制备 4-取代-5-(三氟甲基)吡咯-3-腈化合物的工艺，该化合物可用作杀虫、杀线虫和杀螨剂。
• US5106985A
  申请人：——

  公开号：US5106985A

  公开（公告）日：1992-04-21
• The synthesis of pyrroles with insecticidal activity
  作者：David G. Kuhn、Victor M. Kamhi、Joseph A. Furch、Robert E. Diehl、Gregory T. Lowen、Venkataraman Kameswaran

  DOI：10.1002/ps.2780410312

  日期：1994.7

  AbstractThe 2‐aryl‐4‐bromo‐5‐trifluoromethylpyrrole‐3‐carbonitriles represent a new class of insect control agents. The high insectidical activity observed in this series prompted us to investigate the preparation of regioisomeric arylhalotrifluoromethylpyrrole carbonitriles. The synthesis and biological activity of eight of the twelve possible regioisomers are described and discussed.