methyl 4-[5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-1-naphthalenecarboxylate | 1189352-80-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: methyl 4-[5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-1-naphthalenecarboxylate
• 英文别名: 4-[5-(3,5-bis-trifluoromethyl-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-naphthalene-1-carboxylic acid methyl ester；methyl 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylate
• CAS: 1189352-80-4
• 化学式: C₂₄H₁₄F₉NO₃
• 分子量: 535.366
• InChiKey: XRRWEMGPXKIDEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  47.9
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  methyl 4-[3-[3,5-bis(trifluoromethyl)phenyl]-4,4,4-trifluoro-1-oxo-2-buten-1-yl]-1-naphthalenecarboxylate 在 硫酸羟胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.75h， 以80%的产率得到methyl 4-[5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-1-naphthalenecarboxylate
  参考文献：
  名称：

  [EN] METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES
  [FR] PROCÉDÉ DE PRÉPARATION DE 3-TRIFLUOROMÉTHYL CHALCONES

  摘要：

  公开号：

  WO2009126668A3

文献信息

• ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS
  申请人：Curtis Michael

  公开号：US20120077765A1

  公开（公告）日：2012-03-29

  This invention recites naphthyl isoxazoline oxime derivatives of Formula (1) geometric isomers, stereoisomers thereof, pharmaceutically or veterinarily acceptable salts thereof, compositions thereof, and their use as a parasiticide in animals. The variables, R 1a , R 1b , R 1c , R 2 , R 3 , and are as described herein.

  这项发明涉及公式（1）的萘异噁唑啉肟衍生物的几何异构体、立体异构体、药用或兽医学上可接受的盐、组合物以及它们作为动物寄生虫药的用途。变量R1a、R1b、R1c、R2、R3如本文所述。
• 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 3-trifluoromethyl chalcones
  申请人：Annis Gary David

  公开号：US08546618B2

  公开（公告）日：2013-10-01

  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 M1 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 OR11 or NR12R13, and R11, R12 and R13 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如公开所述，包括从混合物中蒸馏水，该混合物包括式2化合物、式3化合物、碱性金属氢氧化物式4中至少选自群组的一种化合物，其中M为Ca、Sr或Ba，碱金属碳酸盐式4a中至少选自群组的一种化合物，其中M1为Li、Na或K，1,5-二氮杂环[4.3.0]非-5-烯和1,8-二氮杂环[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，该反应混合物包括从与镁金属或烷基镁卤化物接触的式5化合物（其中X为Cl、Br或I）得到的Grignard试剂和一种醚溶剂，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如公开所述）接触。本发明还公开了一种利用由上述方法制备的式1化合物或利用上述方法制备的式1化合物制备的式1化合物的方法，用于制备式7化合物，其中Q和Z如公开所述。
• 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。
• US8404649B2
  申请人：——

  公开号：US8404649B2

  公开（公告）日：2013-03-26