5-[5-(3,4,5-trichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-3-methyl-thiophene-2-carboxylic acid [(2,2,2-trifluoro-ethylcarbamoyl)methyl]amide | 1231755-02-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 5-[5-(3,4,5-trichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-3-methyl-thiophene-2-carboxylic acid [(2,2,2-trifluoro-ethylcarbamoyl)methyl]amide
• 英文别名: lotilaner；TP03；3-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]thiophene-2-carboxamide
• CAS: 1231755-02-4
• 化学式: C₂₀H₁₄Cl₃F₆N₃O₃S
• 分子量: 596.765
• InChiKey: HDKWFBCPLKNOCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  5-(hydroxyimino-methyl)-3-methyl-thiophene-2-carboxylic acid 在 N-氯代丁二酰亚胺 、 二苯基膦叠氮化物 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 12.0h， 生成 5-[5-(3,4,5-trichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-3-methyl-thiophene-2-carboxylic acid [(2,2,2-trifluoro-ethylcarbamoyl)methyl]amide
  参考文献：
  名称：

  一种异噁唑啉类杀虫剂的制备方法

  摘要：

  本发明公开了一种异噁唑啉类杀虫剂的制备方法，包括以为起始原料，经肟化和酰胺缩合得到进一步与NXS取代，消除、环化得到异噁唑啉类杀虫剂。本方法在降低中间体纯化的难度同时，也降低了产品纯化的难度，从而提高了产品质量和收率，最终提高了产品的竞争力。

  公开号：

  CN109879826B

文献信息

• MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO
  申请人：Dow AgroSciences LLC

  公开号：US20170210723A1

  公开（公告）日：2017-07-27

  This disclosure relates to the field of molecules having pesticidal utility against pests in Phyla Arthropoda, Mollusca, and Nematoda, processes to produce such molecules, intermediates used in such processes, compositions containing such molecules, and processes of using such molecules and compositions against such pests. These molecules and compositions may be used, for example, as acaricides, insecticides, miticides, molluscicides, and nematicides. This document discloses molecules having the following formula (“Formula One”).

  这份披露涉及具有对节肢动物门、软体动物门和线虫门害虫具有杀虫效用的分子领域，用于生产这种分子的过程，用于这种过程的中间体，含有这种分子的组合物，以及使用这种分子和组合物对抗这些害虫的过程。这些分子和组合物可以用作杀螨剂、杀虫剂、杀螨剂、杀软体动物剂和杀线虫剂。本文件披露了具有以下式（“式一”）的分子。
• ANTIPARASITIC ISOXAZOLINE COMPOUNDS, LONG-ACTING INJECTABLE FORMULATIONS COMPRISING THEM, METHODS AND USES THEREOF
  申请人：MERIAL INC.

  公开号：US20170239218A1

  公开（公告）日：2017-08-24

  This invention relates to long-acting injectable compositions for combating parasites in animals, comprising at least one isoxazoline active agent, a liquid PEG and/or a neutral oil, optionally a co-solvent, and optionally a pharmaceutically acceptable additive or excipient. This invention also provides new isoxazoline active agents with long-lasting efficacy against ectoparasites. The invention also provides for improved methods for eradicating, controlling, and preventing parasite infections and infestations in an animal comprising administering the novel isoxazoline compounds and long-acting injectable compositions of the invention to the animal in need thereof.

  该发明涉及一种用于对抗动物寄生虫的长效注射剂组合物，包括至少一种异唑啉类活性剂、液态PEG和/或中性油、可选的共溶剂以及可选的药用添加剂或赋形剂。该发明还提供了新的异唑啉类活性剂，具有长效抗外寄生虫的功效。该发明还提供了改进的方法，用于根除、控制和预防动物寄生虫感染和寄生，包括向需要该组合物的动物注射该发明的新异唑啉类化合物和长效注射剂组合物。
• ORGANIC COMPOUNDS
  申请人：Nanchen Steve

  公开号：US20110245239A1

  公开（公告）日：2011-10-06

  Novel isoxazoline compounds and compositions containing the compounds are disclosed. The compounds have pesticidal properties and are suitable for use on non-human animals.

  公开了新型异氧唑啉化合物及含有该化合物的组合物。这些化合物具有杀虫性质，适用于用于非人类动物。
• Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto
  申请人：Dow AgroSciences LLC

  公开号：US10251394B2

  公开（公告）日：2019-04-09

  This disclosure relates to the field of molecules having pesticidal utility against pests in Phyla Arthropoda, Mollusca, and Nematoda, processes to produce such molecules, intermediates used in such processes, compositions containing such molecules, and processes of using such molecules and compositions against such pests. These molecules and compositions may be used, for example, as acaricides, insecticides, miticides, molluscicides, and nematicides. This document discloses molecules having the following formula (“Formula One”).

  本公开涉及对节肢动物门、软体动物门和线虫动物门中的害虫具有杀虫作用的分子、生产此类分子的工艺、用于此类工艺的中间体、含有此类分子的组合物以及使用此类分子和组合物对付此类害虫的工艺。这些分子和组合物可用作杀螨剂、杀虫剂、杀螨剂、杀软体动物剂和杀线虫剂等。本文件公开了具有下式（"式一"）的分子。
• Use of isoxazoline derivatives for the treatment or prevention of arthropod infestations in poultry
  申请人：Intervet Inc.

  公开号：US10272071B2

  公开（公告）日：2019-04-30

  The present invention relates to methods of treating or preventing arthropod infestations of poultry animals and methods of controlling arthropod infestations in poultry animal's environment by administering an isoxazoline compound of formula (I) via drinking water.

  本发明涉及通过饮用水施用式（I）异噁唑啉化合物来治疗或预防家禽动物节肢动物侵扰的方法，以及控制家禽动物环境中节肢动物侵扰的方法。