弗雷拉纳中间体九 | 864725-62-2

• 物质功能分类: 医药中间体 - 原料药中间体
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 弗雷拉纳中间体九
• 英文名称: 4-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-methylbenzoic acid
• 英文别名: 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-isoxazol-3-yl]-2-methylbenzoic acid；4-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)benzoic acid；IOBA；4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid
• CAS: 864725-62-2
• 化学式: C₁₈H₁₂Cl₂F₃NO₃
• 分子量: 418.199
• InChiKey: KBWVSPGZOPXKRR-UHFFFAOYSA-N

物化性质

• 沸点：
  511.3±60.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  58.9
• 氢给体数：
  1
• 氢受体数：
  7

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  ——	methyl 4-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-methylbenzoate	864736-32-3	C19H14Cl2F3NO3	432.226
  ——	4-[5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-methylbenzoic acid ethyl ester	——	C20H16Cl2F3NO3	446.253
  弗雷拉纳标准品015	4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-2-methylbenzoic acid tert-butyl ester	1164268-79-4	C22H20Cl2F3NO3	474.307
  ——	4-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-methyl-benzonitrile	930110-37-5	C18H11Cl2F3N2O	399.199
  ——	3-(4-chloro-3-methylphenyl)-5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole	930110-34-2	C17H11Cl3F3NO	408.635
  氟雷拉纳	fluralaner	864731-61-3	C22H17Cl2F6N3O3	556.292
  弗雷拉纳标准品019	4-(3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoyl)-2-methylbenzoic acid	1095275-07-2	C18H13Cl2F3O4	421.2

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	4-[(5S)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-isoxazol-3-yl]-2-methyl-benzoic acid	1273591-20-0	C18H12Cl2F3NO3	418.199
  ——	methyl 4-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-methylbenzoate	864736-32-3	C19H14Cl2F3NO3	432.226
  ——	4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-2-methylbenzoic acid amide	864730-52-9	C18H13Cl2F3N2O2	417.215
  ——	4-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)isoxazol-3-yl]-2-methylbenzoyl chloride	——	C18H11Cl3F3NO2	436.645
  ——	4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-N-(dimethylaminomethylidene)-2-methylbenzamide	928783-27-1	C21H18Cl2F3N3O2	472.294
  ——	N-cyanomethyl-4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-2-methylbenzamide	864731-29-3	C20H14Cl2F3N3O2	456.251
  ——	(Z)-4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-N-(methoxyiminomethyl)-2-methylbenzamide	928783-29-3	C20H16Cl2F3N3O3	474.267
  ——	N-(3-amino-2-hydroxy-propyl)-4-[5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-methyl-benzamide	1309959-50-9	C21H20Cl2F3N3O3	490.309
  ——	4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-isoxazol-3-yl]-2-methyl-N-(thietan-3-ylmethyl)benzamide	1392430-58-8	C22H19Cl2F3N2O2S	503.372
  氟雷拉纳	fluralaner	864731-61-3	C22H17Cl2F6N3O3	556.292

反应信息

• 作为反应物：
  描述：

  弗雷拉纳中间体九 在 palladium diacetate 碘苯二乙酸 、 碘 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 4-[5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-2-iodo-6-methyl-benzoic acid
  参考文献：
  名称：

  [EN] INSECTICIDAL COMPOUNDS
  [FR] COMPOSÉS INSECTICIDES

  摘要：

  公开号：

  WO2009080250A3
• 作为产物：
  描述：

  3', 5'-二氯-2, 2, 2-三氟苯乙酮 在 4-二甲氨基吡啶 、 四丁基溴化铵 、 羟胺 、 乙酸酐 、 sodium hydroxide 作用下， 以 水 、 甲苯 为溶剂， 反应 25.0h， 生成 弗雷拉纳中间体九
  参考文献：
  名称：

  [EN] ISOXAZOLINE COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS
  [FR] COMPOSÉS ISOXAZOLINE ET LEUR UTILISATION EN TANT QU'AGENTS DE LUTTE CONTRE LES ORGANISMES NUISIBLES

  摘要：

  本发明公开了一种式(I)的异氧杂环烷化合物，其中，R1、R2a、R2b、R2c、A、T和Z如详细说明中所定义。本发明还公开了制备式(I)化合物的方法以及将式(I)化合物用作杀虫剂的用途。

  公开号：

  WO2021038501A1

文献信息

• INSECTICIDAL COMPOUNDS BASED ON ISOAZOLINE DERIVATIVES
  申请人：Cassayre Jerome Yves

  公开号：US20120238517A1

  公开（公告）日：2012-09-20

  The present invention relates to compounds of formula (I): Wherein A 1 , A 2 , A 3 , A 4 , G 1 , L, Y 1 , Y 2 , Y 3 , Y 4 , R 1 , R 2 , R 3 and R 4 are as defined in claim 1 ; or a salt or N-oxide thereof. Furthermore, the present invention relates to intermediates for preparing compounds of formula (I), to compositions comprising them and to methods of using them to combat and control insect, acarine, nematode and mollusc pests.

  本发明涉及式(I)的化合物：其中A1、A2、A3、A4、G1、L、Y1、Y2、Y3、Y4、R1、R2、R3和R4如权利要求1所定义；或其盐或N-氧化物。此外，本发明涉及制备式(I)化合物的中间体，包含它们的组合物以及使用它们来对抗和控制昆虫、螨虫、线虫和软体动物害虫的方法。
• [EN] INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES<br/>[FR] COMPOSÉS INSECTICIDES À BASE DE DÉRIVÉS ISOXAZOLINE
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2011067272A1

  公开（公告）日：2011-06-09

  The present invention relates to compounds of formula (I): Wherein A1, A2, A3, A4, G1, L, Y1, Y2, Y3, Y4, R1, R2, R3 and R4 are as defined in claim 1; or a salt or N-oxide thereof. Furthermore, the present invention relates to intermediates for preparing compounds of formula (I), to compositions comprising them and to methods of using them to combat and control insect, acarine, nematode and mollusc pests.

  本发明涉及式(I)的化合物：其中A1、A2、A3、A4、G1、L、Y1、Y2、Y3、Y4、R1、R2、R3和R4如权利要求1所定义；或其盐或N-氧化物。此外，本发明涉及制备式(I)化合物的中间体，包含它们的组合物以及使用它们来对抗和控制昆虫、螨虫、线虫和软体动物害虫的方法。
• [EN] ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS<br/>[FR] DÉRIVÉS D'ISOXAZOLINE EN TANT QUE COMPOSÉS INSECTICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2013026695A1

  公开（公告）日：2013-02-28

  The present invention provides compounds of formula (I) wherein G1 is oxygen; R1 is hydrogen; R2 is group P, L is a bond, methylene or ethylene; one of A1 and A2 is S, SO or SO2 and the other is -C(R4)R4-; R3 is hydrogen or methyl; each R4 is independently hydrogen or methyl; Y1, Y2 and Y3 are independently CH or nitrogen; wherein no more than two of Y1, Y2 and Y3 are nitrogen and wherein Y2 and Y3 are not both nitrogen; R5 is chloro, bromo, fluoro; X2 is C-X6 or nitrogen; Χ1, Χ3 and X6 are independently hydrogen, halogen or trihalomethyl, wherein at least two of X1, X3 and X6 are not hydrogen; X4 is trifluoromethyl, difluoromethyl or chlorodifluoromethyl. The invention also relates to methods of using the compounds to control insects, acarines, nematodes or molluscs, as well as intermediates usefor the the sysnthesis of the compounds.

  本发明提供了以下式（I）的化合物，其中G1为氧；R1为氢；R2为P基团；L为键合，亚甲基或乙烯基；A1和A2中的一个为S、SO或SO2，另一个为-C(R4)R4-；R3为氢或甲基；每个R4独立地为氢或甲基；Y1、Y2和Y3独立地为CH或氮；其中Y1、Y2和Y3中不超过两个为氮，且Y2和Y3不同时为氮；R5为氯、溴或氟；X2为C-X6或氮；Χ1、Χ3和X6独立地为氢、卤素或三卤甲基，其中至少两个X1、X3和X6不为氢；X4为三氟甲基、二氟甲基或氯二氟甲基。该发明还涉及使用这些化合物来控制昆虫、蜱、线虫或软体动物的方法，以及用于合成这些化合物的中间体。
• [EN] PROCESS FOR THE PREPARATION OF THIETANE DERIVATIVES<br/>[FR] PROCÉDÉ DE PRÉPARATION DE DÉRIVÉS DE THIÉTANE
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2013026930A1

  公开（公告）日：2013-02-28

  The present invention relates to processes for the preparation of thietane derivatives of the formula (IA) and thietane derivatives of the formula (IB) wherein R1, R2, A1, A2, A3, A4, B, and n are as defined in the claims. The invention also relates to intermediates useful in the processes, as well as the compounds of formula (IA) and (IB) and their use as pesticides.

  本发明涉及制备式（IA）的噻环烷衍生物和式（IB）的噻环烷衍生物的过程，其中R1、R2、A1、A2、A3、A4、B和n如权利要求中所定义。该发明还涉及在该过程中有用的中间体，以及式（IA）和（IB）的化合物及其作为杀虫剂的用途。
• [EN] ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS<br/>[FR] DÉRIVÉS D'ISOXAZOLINE CONVENANT COMME COMPOSÉS INSECTICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2013026931A1

  公开（公告）日：2013-02-28

  The present invention provides compounds of formula (I), wherein G1 is oxygen; R1 is hydrogen; R2 is group P (P) L is a bond, methylene or ethylene; one of A1 and A2 is S, SO or SO2 and the other is -C(R4)R4-R3 is hydrogen or methyl; each R4 is independently hydrogen or methyl; Y1 is C-R6, CH or nitrogen; Y2 and Y3 are independently CH or nitrogen; wherein no more than two of Y1, Y2 and Y3 are nitrogen and wherein Y2 and Y3 are not both nitrogen; R5 is hydrogen, halogen, cyano, nitro, NH2, C1-C2alkyl, C1-C2haloalkyl, C3-C5cycloalkyl, C3-C5halocycloalkyl, C1-C2alkoxy, C1-C2haloalkoxy; R6 together with R5 forms a -CH=CH-CH=CH- bridge; X2 is C-X6 or nitrogen; X1, X3 and X6 are independently hydrogen, halogen or trihalomethyl, wherein at least two of X1, X3 and X6 are not hydrogen; X4 is trifluoromethyl, difluoromethyl or chlorodifluoromethyl. The invention also provides intermediates useful for the preparation of compounds of formula (I), as well as methods of controlling insects, acarines, nematodes or molluscs using the compounds of formula (I).

  本发明提供了以下式(I)的化合物，其中G1为氧；R1为氢；R2为P基团；L为键，亚甲基或乙烯基；A1和A2中的一个为S，SO或SO2，另一个为-C(R4)R4；R3为氢或甲基；每个R4独立地为氢或甲基；Y1为C-R6，CH或氮；Y2和Y3独立地为CH或氮；其中Y1、Y2和Y3中不超过两个为氮，且Y2和Y3不同时为氮；R5为氢、卤素、氰基、硝基、NH2、C1-C2烷基、C1-C2卤代烷基、C3-C5环烷基、C3-C5卤代环烷基、C1-C2烷氧基、C1-C2卤代烷氧基；R6与R5一起形成-CH=CH-CH=CH-桥；X2为C-X6或氮；X1、X3和X6独立地为氢、卤素或三卤甲基，其中至少两个不是氢；X4为三氟甲基、二氟甲基或氯二氟甲基。该发明还提供了用于制备上述式(I)化合物的中间体，以及使用这些化合物控制昆虫、螨、线虫或软体动物的方法。