1-(4-chlorophenyl)-5-methyl-3-trifluoromethylpyrazole | 129585-47-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-chlorophenyl)-5-methyl-3-trifluoromethylpyrazole
• 英文别名: 1-(4-Chlorophenyl)-5-methyl-3-(trifluoromethyl)pyrazole
• CAS: 129585-47-3
• 化学式: C₁₁H₈ClF₃N₂
• 分子量: 260.646
• InChiKey: RWLIQOOSSDZJNQ-UHFFFAOYSA-N

物化性质

• 沸点：
  113 °C(Press: 0.6 Torr)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-chlorophenyl)-5-methyl-3-trifluoromethylpyrazole 在 potassium permanganate 、 十六烷基三甲基氯化铵 作用下， 生成 1-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
  参考文献：
  名称：

  Insecticidal anthranilic diamides: A new class of potent ryanodine receptor activators

  摘要：

  A novel class of anthranilic diamides has been discovered with exceptional insecticidal activity on a range of Lepidoptera. These compounds have been found to exhibit their action by release of intracellular Ca2+ stores mediated by the ryanodine receptor. The discovery, synthesis, structure-activity, and biological results are presented. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.034
• 作为产物：
  描述：

  4-氯苯肼 、 5,5,5-三氟-4-羟基-戊-3-烯-2-酮 生成 1-(4-chlorophenyl)-5-methyl-3-trifluoromethylpyrazole
  参考文献：
  名称：

  LYGA, JOHN W.;PATERA, RUSSELL M., J. HETEROCYCL. CHEM., 27,(1990) N, C. 919-921

  摘要：

  DOI：

文献信息

• Lyga, John W.; Patera, Russell M., Journal of Heterocyclic Chemistry, 1990, vol. 27, # 4, p. 919 - 921
  作者：Lyga, John W.、Patera, Russell M.

  DOI：——

  日期：——
• LYGA, JOHN W.;PATERA, RUSSELL M., J. HETEROCYCL. CHEM., 27,(1990) N, C. 919-921
  作者：LYGA, JOHN W.、PATERA, RUSSELL M.

  DOI：——

  日期：——
• Insecticidal anthranilic diamides: A new class of potent ryanodine receptor activators
  作者：George P. Lahm、Thomas P. Selby、John H. Freudenberger、Thomas M. Stevenson、Brian J. Myers、Gilles Seburyamo、Ben K. Smith、Lindsey Flexner、Christopher E. Clark、Daniel Cordova

  DOI：10.1016/j.bmcl.2005.08.034

  日期：2005.11

  A novel class of anthranilic diamides has been discovered with exceptional insecticidal activity on a range of Lepidoptera. These compounds have been found to exhibit their action by release of intracellular Ca2+ stores mediated by the ryanodine receptor. The discovery, synthesis, structure-activity, and biological results are presented. (c) 2005 Elsevier Ltd. All rights reserved.