methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]naphthalene-1-carboxylate | 1125812-60-3

• 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-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]naphthalene-1-carboxylate
• 英文别名: methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-1-naphthalenecarboxylate；Methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-1-naphthalenecarboxylate；methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylate
• CAS: 1125812-60-3
• 化学式: C₂₃H₁₄ClF₆NO₃
• 分子量: 501.812
• InChiKey: UWIJZFAAEDBZBF-UHFFFAOYSA-N

物化性质

• 沸点：
  501.5±60.0 °C(Predicted)
• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  47.9
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]naphthalene-1-carboxylate 在 水 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 、 sodium hydroxide 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 1-[(4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]naphthalen-1-yl)carbonyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
  参考文献：
  名称：

  ANTIPARISITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS

  摘要：

  本发明涉及式(I)的新颖和创新的异恶唑啉及其盐：其中变量D1、D2、D3、D4、D5、R1、B1、B2、B3、R2、R3、R4、R5、R6、Y、Z、L、a和b如所述在描述中定义。该发明还涉及包括式(I)的异恶唑啉化合物的杀虫和杀菌组合物，其制备过程以及它们用于预防或治疗动物寄生虫感染或寄生虫侵袭以及作为杀虫剂的用途。

  公开号：

  US20150126523A1
• 作为产物：
  描述：

  4-溴-1-萘甲酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sodium hypochlorite 、 硼烷四氢呋喃络合物 、 盐酸羟胺 、 sodium acetate 、 silica gel 、 三乙胺 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 二氯甲烷 、 水 为溶剂， 20.0~70.0 ℃ 、1.01 MPa 条件下， 反应 4.0h， 生成 methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]naphthalene-1-carboxylate
  参考文献：
  名称：

  ANTIPARISITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS

  摘要：

  本发明涉及式(I)的新颖和创新的异恶唑啉及其盐：其中变量D1、D2、D3、D4、D5、R1、B1、B2、B3、R2、R3、R4、R5、R6、Y、Z、L、a和b如所述在描述中定义。该发明还涉及包括式(I)的异恶唑啉化合物的杀虫和杀菌组合物，其制备过程以及它们用于预防或治疗动物寄生虫感染或寄生虫侵袭以及作为杀虫剂的用途。

  公开号：

  US20150126523A1

文献信息

• 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 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。
• Antiparisitic and pesticidal isoxazoline compounds
  申请人：MERIAL LIMITED

  公开号：US09447084B2

  公开（公告）日：2016-09-20

  The present invention relates to novel and inventive isoxazoline of formula (I) and salts thereof: wherein variables D1, D2, D3, D4, D5, R1, B1, B2, B3, R2, R3, R4, R5, R6, Y, Z, L, a and b are described herein are as defined in the description. The invention also relates to parasiticidal and pesticidal compositions comprising the isoxazoline compounds of formula (I), processes for their preparation and their uses to prevent or treat parasitic infections or infestations in animals and as pesticides.

  本发明涉及式（I）及其盐的新颖和创新的异噁唑啉： 其中，变量D1、D2、D3、D4、D5、R1、B1、B2、B3、R2、R3、R4、R5、R6、Y、Z、L、a和b的定义如本说明书所述。本发明还涉及包含式（I）的异噁唑啉化合物的杀虫和杀菌组合物，以及制备它们的方法，以预防或治疗动物的寄生虫感染或寄生虫侵染，并作为杀虫剂使用。