(E)-4-[3-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluoro-1-oxo-2-buten-1-yl]-N-[2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl]-1-naphthalenecarboxamide | 1124287-50-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (E)-4-[3-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluoro-1-oxo-2-buten-1-yl]-N-[2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl]-1-naphthalenecarboxamide
• 英文别名: 4-[(E)-3-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobut-2-enoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide
• CAS: 1124287-50-8
• 化学式: C₂₆H₁₆ClF₉N₂O₃
• 分子量: 610.863
• InChiKey: IDDNCMBDEJQRDY-KEBDBYFISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  75.3
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  1-(3-氯-5-(三氟甲基)苯基)-2,2,2-三氟乙酮 、 4-acetyl-N-[2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl]-1-naphthalenecarboxamide 在 calcium hydroxide 作用下， 以 甲基叔丁基醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 (E)-4-[3-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluoro-1-oxo-2-buten-1-yl]-N-[2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl]-1-naphthalenecarboxamide 、 (Z)-4-[3-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluoro-1-oxo-2-buten-1-yl]-N-[2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl]-1-naphthalenecarboxamide
  参考文献：
  名称：

  [EN] METHOD FOR PREPARING 5-HALOALKYL-4,5-DIHYDROISOXAZOLE DERIVATIVES
  [FR] PROCÉDÉ POUR PRÉPARER DES DÉRIVÉS DE 5-HALOGÉNOALKYL-4,5-DIHYDROISOXAZOLE

  摘要：

  公开号：

  WO2009025983A4

文献信息

• [EN] PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED ISOXAZOLINE COMPOUNDS - CRYSTALLINE TOLUENE SOLVATE OF (S)-AFOXOLANER<br/>[FR] PROCÉDÉ DE PRÉPARATION DE COMPOSÉS D'ISOXAZOLINE ÉNANTIOMÉRIQUEMENT ENRICHIS ET DE SOLVATE DE TOLUÈNE CRISTALLIN DE (S)-AFOXOLANER
  申请人：MERIAL INC

  公开号：WO2017176948A1

  公开（公告）日：2017-10-12

  This invention relates to processes for the preparation of antiparasitic isoxazoline compounds enriched in an enantiomer using quinine- based chiral phase transfer catalysts. The invention also relates to novel quinine-based phase transfer catalysts and to a crystalline toluene solvate form of (S)-afoxolaner.

  这项发明涉及使用奎宁基手性相转移催化剂制备富含一个对映体的抗寄生虫异噁唑烷化合物的过程。该发明还涉及新型奎宁基相转移催化剂以及(S)-氧氟咪唑的结晶甲苯溶剂化合物形式。
• METHOD FOR PREPARING 5-HALOALKYL-4, 5-DIHYDROISOXAZOLE DERIVATIVES
  申请人：Annis Gary David

  公开号：US20120277442A1

  公开（公告）日：2012-11-01

  Disclosed is a method for preparing a compound of Formula 1 wherein R 1 is CHX 2 , CX 3 , CX 2 CHX 2 or CX 2 CX 3 ; each X is independently Cl or F; Z is optionally substituted phenyl; and Q is phenyl or 1-naphthalenyl, each optionally substituted as defined in the disclosure; comprising contacting a compound of Formula 2 with hydroxylamine in the presence of a base. The present invention also relates to novel compounds of Formula 2, useful as starting materials for the aforedescribed method.

  本发明揭示了一种制备式1化合物的方法，其中R1为CHX2，CX3，CX2CHX2或CX2CX3;每个X独立地为Cl或F;Z为可选取代的苯基;而Q为苯基或1-萘基，每个都可以根据公开说明进行取代;包括在碱存在下将式2化合物与羟胺接触。本发明还涉及新型式2化合物，用作上述方法的起始材料。
• METHOD FOR PREPARING 5-HALOALKYL-4,5-DIHYDROISOXAZOLE DERIVATIVES
  申请人：Annis Gary David

  公开号：US20100249424A1

  公开（公告）日：2010-09-30

  Disclosed is a method for preparing a compound of Formula 1 wherein R 1 is CHX 2 , CX 3 , CX 2 CHX 2 or CX 2 CX 3 ; each X is independently Cl or F; Z is optionally substituted phenyl; and Q is phenyl or 1-naphthalenyl, each optionally substituted as defined in the disclosure; comprising contacting a compound of Formula 2 with hydroxylamine in the presence of a base. The present invention also relates to novel compounds of Formula 2, useful as starting materials for the aforedescribed method.

  揭示了一种制备公式1化合物的方法，其中R1为CHX2，CX3，CX2CHX2或CX2CX3;每个X独立地为Cl或F;Z为可选取代的苯基;Q为苯基或1-萘基，每个均可按照本公开说明中定义进行取代;包括在碱的存在下将公式2化合物与羟胺接触。本发明还涉及公式2的新化合物，可用作上述方法的起始材料。
• METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES
  申请人：E.I. du Pont de Nemours and Company

  公开号：US20140155617A1

  公开（公告）日：2014-06-05

  Disclosed is a method for preparing a compound of Formula 1 wherein Q and Z are as defined in the disclosure comprising distilling water from a mixture comprising a compound of Formula 2, a compound of Formula 3, a base comprising at least one compound selected from the group consisting of alkaline earth metal hydroxides of Formula 4 wherein M is Ca, Sr or Ba, alkali metal carbonates of Formula 4a wherein M 1 is Li, Na or K, 1,5-diazabicyclo[4.3.0]non-5-ene and 1,8-diazabicyclo[5.4.0]undec-7-ene, and an aprotic solvent capable of forming a low-boiling azeotrope with water. Also disclosed is a method for preparing a compound of Formula 2 comprising (1) forming a reaction mixture comprising a Grignard reagent derived from contacting a compound of Formula 5 wherein X is Cl, Br or I with magnesium metal or an alkylmagnesium halide in the presence of an ethereal solvent, and then (2) contacting the reaction mixture with a compound of Formula 6 wherein Y is OR 11 or NR 12 R 13 , and R 11 , R 12 and R 13 are as defined in the disclosure. Further disclosed is a method for preparing a compound of Formula 7 wherein Q and Z are as defined in the disclosure, using a compound of Formula 1 characterized by preparing the compound of Formula 1 by the method disclosed above or using a compound of Formula 1 prepared by the method disclosed above.

  本发明公开了一种制备式1化合物的方法，其中Q和Z如本文所定义，包括从混合物中蒸馏水的步骤，所述混合物包括式2化合物、式3化合物、碱性土属金属氢氧化物（式4，其中M为Ca、Sr或Ba）、碱金属碳酸盐（式4a，其中M1为Li、Na或K）、1,5-二氮杂双环[4.3.0]非-5-烯和1,8-二氮杂双环[5.4.0]十一烯，以及能够与水形成低沸点共沸物的无水溶剂。本发明还公开了一种制备式2化合物的方法，包括（1）形成反应混合物，所述反应混合物包括通过将式5化合物（其中X为Cl、Br或I）与镁金属或烷基镁卤化物接触形成的Grignard试剂，在乙醚溶剂存在下，然后（2）将反应混合物与式6化合物（其中Y为OR11或NR12R13，R11、R12和R13如本文所定义）接触的步骤。本发明还公开了一种利用通过上述公开的方法制备的式1化合物或者利用通过上述公开的方法制备的式1化合物进行制备的式7化合物的方法，其中Q和Z如本文所定义。
• Method for preparing 2-trifluoromethyl ketones
  申请人：E. I. du Pont de Nemours and Company

  公开号：EP2706053A1

  公开（公告）日：2014-03-12

  Disclosed is a method for preparing a compound of formula (2) from compounds of formula (5) and (6), wherein Z and Y are defined herein and X denotes I. Also disclosed are novel compounds of formula (2).

  公开了一种由式（5）和（6）化合物制备式（2）化合物的方法，其中 Z 和 Y 在此定义，X 表示 I。