1-(2-chlorophenyl)-3-trifluoromethyl-1H-pyrazole-5-carbonyl chloride | 511533-50-9

• 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-(2-chlorophenyl)-3-trifluoromethyl-1H-pyrazole-5-carbonyl chloride
• 英文别名: 2-(2-chlorophenyl)-5-trifluoromethyl-2H-pyrazole-3-carbonyl chloride；2-(2-Chloro-phenyl)-5-trifluoromethyl-2H-pyrazole-3-carbonyl chloride；2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carbonyl chloride
• CAS: 511533-50-9
• 化学式: C₁₁H₅Cl₂F₃N₂O
• 分子量: 309.075
• InChiKey: KYLBVXFZVFCCJQ-UHFFFAOYSA-N

物化性质

• 沸点：
  359.8±42.0 °C(Predicted)
• 密度：
  1.55±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  19
• 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-(2-chlorophenyl)-3-trifluoromethyl-1H-pyrazole-5-carbonyl chloride 在 吡啶 作用下， 以 四氢呋喃 为溶剂， 生成 1-(2-Chlorophenyl)-n-[2-methyl-6-[[(1-methylethyl)amino]carbonyl]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：

  1-(2-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid 在 氯化亚砜 作用下， 反应 2.0h， 生成 1-(2-chlorophenyl)-3-trifluoromethyl-1H-pyrazole-5-carbonyl chloride
  参考文献：
  名称：

  WO2007/43677

  摘要：

  公开号：

文献信息

• Iminobenzoxazines, iminobenzthiazines and iminoquinazolines for controlling invertebrate pests
  申请人：——

  公开号：US20040214828A1

  公开（公告）日：2004-10-28

  This invention pertains to methods for controlling invertebrate pests comprising contacting the invertebrate pest or its environment with a biologically effective amount of a compound of Formula (I) wherein B is O, S or NR 1 ; J is a phenyl ring, a naphthyl ring system, a 5- or 6-membered heteroaromatic ring or an aromatic 8-, 9- or 10-membered fused heterobicyclic ring system wherein each ring or ring system is optionally substituted with 1 to 4 R 5 ; and R 1 , R 2 , R 4 , R 5 and n are as defined in the disclosure. This invention also pertains to certain compounds of Formula (I) and compositions for controlling invertebrate pests comprising a biologically effective amount of a compound of Formula (I) and at least one additional component selected from the group consisting of surfactants, solid diluents and liquid diluents and optionally further comprising an effective amount of at least one additional biologically active compound or agent. 1

  本发明涉及用式(I)化合物控制无脊椎动物害虫的方法，其中将无脊椎动物害虫或其环境与式(I)化合物的生物学有效量接触，其中B为O、S或NR1；J为苯环、萘环系统、5-或6-成员杂环芳香环或芳香8、9或10-成员融合杂双环环系统，其中每个环或环系统可选择地用1至4个R5取代；R1、R2、R4、R5和n如本文所定义。本发明还涉及式(I)化合物和组合物，用于控制无脊椎动物害虫，其中组合物包括式(I)化合物的生物学有效量和至少一种来自表面活性剂、固体稀释剂和液体稀释剂组成的群体中选择的额外组分，并且可选地进一步包括至少一种额外的生物活性化合物或剂量的有效量。
• LXR and FXR Modulators
  申请人：Boren Brant Clayton

  公开号：US20100069367A1

  公开（公告）日：2010-03-18

  Compounds of the invention are disclosed, such as compounds of formulae LX-LXIV, and pharmaceutically acceptable salts, isomers, or prodrugs thereof, which are useful as modulators of the activity of liver X receptors (LXR) and Farnesoid X receptors (FXR), where R 00 , R 200 , R 400 , R 500 , J 11 , J 21 , G 1 , G 21 , and Q are defined herein. Pharmaceutical compositions containing the compounds and methods of using the compounds are also disclosed.

  本发明揭示了化合物，例如公式LX-LXIV的化合物，以及其药学上可接受的盐、异构体或前药，这些化合物对于肝X受体（LXR）和法尼索叶酸X受体（FXR）的活性调节有用，其中R00、R200、R400、R500、J11、J21、G1、G21和Q在此处被定义。还揭示了含有这些化合物的药物组合物和使用这些化合物的方法。
• Hydrazide compound and pesticidal use of the same
  申请人：Sumitomo Chemical Company, Limited

  公开号：US07867949B2

  公开（公告）日：2011-01-11

  A hydrazide compound represented by the formula (1): has excellent pesticidal activity.

  一种由公式（1）表示的腙酰肼化合物具有优良的杀虫活性。
• HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME
  申请人：Ikegami Hiroshi

  公开号：US20110071291A1

  公开（公告）日：2011-03-24

  A hydrazide compound represented by the formula (1): (wherein R 1 , R 2 , R 3 , R 4 , A 1 , A 2 , J, Q and n are defined in the specification) has excellent pesticidal activity.

  一个由公式（1）表示的腙酰肼化合物：（其中R1，R2，R3，R4，A1，A2，J，Q和n在说明书中定义）具有优异的杀虫活性。
• LXR and FXR modulators
  申请人：Exelixis Patent Company LLC

  公开号：US07998995B2

  公开（公告）日：2011-08-16

  Compounds of the invention are disclosed, such as compounds of formulae LX-LXIV, and pharmaceutically acceptable salts, isomers, or prodrugs thereof, which are useful as modulators of the activity of liver X receptors (LXR) and Farnesoid X receptors (FXR), where R00, R200, R400, R500, J11, J21, G1, G21, and Q are defined herein. Pharmaceutical compositions containing the compounds and methods of using the compounds are also disclosed.

  本发明揭示了化合物，例如公式LX-LXIV的化合物，以及其药学上可接受的盐、异构体或前药，它们有用于调节肝X受体（LXR）和法尼索受体（FXR）活性的作用，其中R00、R200、R400、R500、J11、J21、G1、G21和Q在此定义。还揭示了含有这些化合物的制药组合物和使用这些化合物的方法。