1-phenyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl chloride | 362640-60-6

• 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-phenyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl chloride
• 英文别名: 2-phenyl-5-(trifluoromethyl)pyrazole-3-carbonyl chloride
• CAS: 362640-60-6
• 化学式: C₁₁H₆ClF₃N₂O
• 分子量: 274.63
• InChiKey: UNUPVQWPZMQNTN-UHFFFAOYSA-N

物化性质

• 沸点：
  327.1±42.0 °C(Predicted)
• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-phenyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl chloride 在 吡啶 作用下， 以 四氢呋喃 为溶剂， 生成 N-[2-methyl-6-[[(1-methylethyl)amino]carbonyl]phenyl]-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
  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：

  5-(2-furyl)-1-phenyl-3-trifluoromethylpyrazole 在 sodium hypochlorite 、 sodium chlorite 、 sodium dihydrogenphosphate 、 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 1-phenyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl chloride
  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

文献信息

• Insecticidal anthranilamides
  申请人：——

  公开号：US20030229050A1

  公开（公告）日：2003-12-11

  This invention provides compounds of Formula (1), their N-oxides and agriculturally suitable salts wherein A, B, J, R 1 , R 2 , R 3 and R 4 and n are as defined in the disclosure. Also disclosed are methods for controlling arthropods comprising contacting the arthropods or their environment with an arthropodicidally effective amount of a compound of Formula (1) and compositions containing the compounds of Formula (1).

  这项发明提供了公式（1）的化合物，它们的N-氧化物和农业适用的盐，其中A、B、J、R1、R2、R3和R4以及n如披露中定义。还披露了控制节肢动物的方法，包括将节肢动物或其环境与公式（1）的化合物的有效量接触，并含有公式（1）的化合物的组合物。
• Design, synthesis and biological activity of novel substituted pyrazole amide derivatives targeting EcR/USP receptor
  作者：Xi-Le Deng、Jin Xie、Yong-Qiang Li、De-Kai Yuan、Xue-Ping Hu、Li Zhang、Qing-Min Wang、Ming Chi、Xin-Ling Yang

  DOI：10.1016/j.cclet.2016.02.009

  日期：2016.4

  Abstract In order to discover highly active ecdysone analogs, a series of new substituted pyrazole amide derivatives were obtained using structure-guided optimization method and further screened for their insecticidal activities, in the basis of the core structures of the two active compounds N-(3-methoxyphenyl)-3-(tert-butyl)-1-phenyl-1H-pyrazole-5-carboxamide (6e) and N-(4-(tert-butyl)phenyl)-3-

  摘要为了发现高活性蜕皮激素类似物，在两种活性化合物N-（3）的核心结构的基础上，采用结构导向的优化方法，获得了一系列新的取代吡唑酰胺衍生物，并对其杀虫活性进行了筛选。 -甲氧基苯基）-3-（叔丁基）-1-苯基-1H-吡唑-5-羧酰胺（6e）和N-（4-（叔丁基）苯基）-3-（叔丁基）-1-苯基-1H-吡唑-5-羧酰胺（6i），以前由我们提供。通过光谱分析鉴定标题化合物的化学结构。初步的生物测定结果表明，合成的吡唑衍生物中的一种，化合物34，对Mythimna Separata的活性为10 mg / L，与阳性对照tebufenozide的活性相当。此外，分子对接和分子动力学研究的例子表明，34可能是EcR的潜在抑制剂，其对接构象与tebufenozide相似。另外，增加疏水作用并考虑对吡唑环的合适的整体作用有利于抑制EcR的活性和体内活性。
• Method of controlling particular insect pests by applying anthranilamide compounds
  申请人：E I DU PONT DE NEMOURS AND COMPANY

  公开号：US09113630B2

  公开（公告）日：2015-08-25

  This invention pertains to a method for controlling lepidopteran, homopteran, hemipteran, thysanopteran and coleopteran insect pests comprising contacting the insects or their environment with an arthropodicidally effective amount of a compound of Formula I, its N-oxide or an agriculturally suitable salt thereof wherein A and B and R1 through R8 are as defined in the disclosure. This invention further relates to a benzoxazinone compound of Formula 10 wherein R4 through R8 are as defined in the disclosure, useful for preparation of a compound of Formula I.

  这项发明涉及一种控制鳞翅目、同翅目、半翅目、鳞翅目和鞘翅目昆虫害虫的方法，包括将昆虫或其环境与化合物I的有效量，其N-氧化物或农业适用的盐接触，其中A和B以及R1至R8如披露中定义。该发明还涉及化合物10的苯并噁唑酮化合物，其中R4至R8如披露中定义，用于制备化合物I。
• Anthranilamide arthropodicide treatment
  申请人：E I DU PONT DE NEMOURS AND COMPANY

  公开号：US09173400B2

  公开（公告）日：2015-11-03

  This invention pertains to methods for protecting a propagule or a plant grown therefrom from invertebrate pests comprising contacting the propagule or the locus of the propagule with a biologically effective amount of a compound of Formula I, its N-oxide or an agriculturally suitable salt thereof wherein A and B and R1 through R8 are as defined in the disclosure. This invention also relates to propagules treated with a compound of Formula I and compositions comprising a Formula I compound for coating propagules.

  这项发明涉及一种保护繁殖体或从中生长的植物免受无脊椎动物害虫侵害的方法，包括将繁殖体或繁殖体的位置与化合物I的生物有效量，其N-氧化物或农业适用盐之一接触，其中A和B以及R1至R8如披露中所定义。该发明还涉及用化合物I处理过的繁殖体和包含化合物I的配方用于包覆繁殖体。
• Method for controlling particular insect pest by applying anthranilamide compounds
  申请人：Lahm Philip George

  公开号：US20050075372A1

  公开（公告）日：2005-04-07

  This invention pertains to a method for controlling lepidopteran, homopteran, hemipteran, thysanopteran and coleopteran insect pests comprising contacting the insects or their environment with an arthropodicidally effective amount of a compound of Formula I, its N-oxide or an agriculturally suitable salt thereof wherein A and B and R 1 through R 8 are as defined in the disclosure. This invention further relates to a bezoxazinone compound of Formula 10 wherein R 4 through R 8 are as defined in the disclosure, useful for preparation of a compound of Formula I.

  本发明涉及一种控制鳞翅目、同翅目、半翅目、蓟马目和鞘翅目昆虫害的方法，包括将昆虫或其环境与公式I的化合物、其N-氧化物或其农业适用盐的节肢动物杀虫剂有效量接触，其中A和B和R1到R8如本公开说明书所定义。本发明还涉及一种公式10的苯并噁嗪化合物，其中R4到R8如本公开说明书所定义，用于制备公式I的化合物。