diethyl 3-trifluoromethoxyphenylmalonate | 1176959-79-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: diethyl 3-trifluoromethoxyphenylmalonate
• 英文别名: diethyl 2-[3-(trifluoromethoxy)phenyl]propanedioate
• CAS: 1176959-79-7
• 化学式: C₁₄H₁₅F₃O₅
• 分子量: 320.265
• InChiKey: KHEDJHUZVLCFOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  diethyl 3-trifluoromethoxyphenylmalonate 在 水 、 sodium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 反应 0.17h， 生成 2-(3-trifluoromethoxyphenyl)malonic acid
  参考文献：
  名称：

  [EN] MESOIONIC PESTICIDES
  [FR] PESTICIDES MÉSOIONIQUES

  摘要：

  揭示了Formula 1中的化合物，其中X为O或S；Y为O或S；R1、R2、R3和R4如披露所定义。还披露了含有Formula 1中化合物的组合物以及控制无脊椎动物害虫的方法，包括将无脊椎动物害虫或其环境与本发明的化合物或组合物的生物有效量接触。

  公开号：

  WO2009099929A1
• 作为产物：
  描述：

  1-乙氧甲酰咪唑 、 ethyl 2-(3-(trifluoromethoxy)phenyl)acetate 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以69%的产率得到diethyl 3-trifluoromethoxyphenylmalonate
  参考文献：
  名称：

  用1-咪唑氨基甲酸乙酯（EImC）制备丙二酸二乙酯和氰基乙酸乙酯的单α-芳基衍生物的有效方法

  摘要：

  已经描述了使用-1-咪唑氨基甲酸乙酯（EImC）合成丙二酸二乙酯和氰基乙酸乙酯的单α-芳基衍生物的有效方法。用这种方法可以高产率地合成许多位阻和高度取代的丙二酸二乙酯和氰基乙酸乙酯的单α-芳基衍生物。

  DOI：

  10.1016/j.tetlet.2011.12.067

文献信息

• [EN] MESOIONIC PESTICIDES<br/>[FR] PESTICIDES MÉSOIONIQUES
  申请人：DU PONT

  公开号：WO2009099929A1

  公开（公告）日：2009-08-13

  Disclosed are compounds of Formula 1, wherein X is O or S; Y is O or S; and R1, R2, R3 and R4 are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling an invertebrate pest comprising contacting the invertebrate pest or its environment with a biologically effective amount of a compound or a composition of the invention.

  揭示了Formula 1中的化合物，其中X为O或S；Y为O或S；R1、R2、R3和R4如披露所定义。还披露了含有Formula 1中化合物的组合物以及控制无脊椎动物害虫的方法，包括将无脊椎动物害虫或其环境与本发明的化合物或组合物的生物有效量接触。
• Mesoionic pesticides
  申请人：Holyoke, Jr. Caleb William

  公开号：US08552007B2

  公开（公告）日：2013-10-08

  Disclosed are compounds of Formula 1, wherein X is O or S; Y is O or S; and R1, R2, R3 and R4 are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling an invertebrate pest comprising contacting the invertebrate pest or its environment with a biologically effective amount of a compound or a composition of the invention.

  本发明涉及一种公式1的化合物，其中X为O或S；Y为O或S；R1、R2、R3和R4如所述。本发明还涉及含有公式1化合物的组合物以及用于控制无脊椎动物害虫的方法，包括将该无脊椎动物害虫或其环境与本发明化合物或组合物的生物有效量接触。
• MIXTURES OF MESOIONIC PESTICIDES
  申请人：Holyoke, JR. Caleb William

  公开号：US20120115722A1

  公开（公告）日：2012-05-10

  Disclosed are compositions comprising (a) at least one compound selected from compounds of Formula 1, N-oxides, and salt thereof, wherein R 1 is phenyl optionally substituted with up to 5 substituents independently selected from R 3 , or pyridinyl optionally substituted with up to 4 substituents independently selected from R 3 ; R 2 is C 1 -C 4 haloalkyl; or thiazolyl, pyridinyl or pyrimidinyl, each optionally substituted with up to 2 substituents independently selected from the group consisting of halogen and C 1 -C 4 alkyl; each R 3 is independently halogen, cyano, C 1 -C 4 alkyl, C 1 -C 4 haloalkyl, C 1 -C 4 alkoxy, C 1 -C 4 haloalkoxy, C(R 4 )═NOR 4 or Q; each R 4 is independently C 1 -C 4 alkyl; Z is CH═CH or S; and each Q is independently phenyl or pyridinyl, each optionally substituted with up to 3 substituents independently selected from the group consisting of halogen, cyano, C 1 -C 4 alkyl, C 1 -C 4 haloalkyl, C 1 -C 4 alkoxy and C 1 -C 4 haloalkoxy; and (b) at least one invertebrate pest control agent. Also disclosed are methods for controlling an invertebrate pest comprising contacting the invertebrate pest or its environment with a biologically effective amount of a composition of the invention.

  本发明涉及一种组合物，包括（a）至少一种选择自式1化合物，N-氧化物和其盐的化合物，其中R1是苯基，可选地取代最多5个独立选择自R3的取代基，或者是吡啶基，可选地取代最多4个独立选择自R3的取代基；R2是C1-C4卤代烷基；或噻唑基，吡啶基或嘧啶基，每个基可选地取代最多2个独立选择自卤素和C1-C4烷基的基团；每个R3是独立的卤素，氰基，C1-C4烷基，C1-C4卤代烷基，C1-C4烷氧基，C1-C4卤代烷氧基，C（R4）═NOR4或Q；每个R4是独立的C1-C4烷基；Z是CH═CH或S；每个Q是独立的苯基或吡啶基，可选地取代最多3个独立选择自卤素，氰基，C1-C4烷基，C1-C4卤代烷基，C1-C4烷氧基和C1-C4卤代烷氧基的基团；和（b）至少一种无脊椎动物害虫控制剂。本发明还涉及一种控制无脊椎动物害虫的方法，包括用本发明组合物的生物有效量接触无脊椎动物害虫或其环境。
• Mixtures of mesoionic pesticides
  申请人：Holyoke, Jr. Caleb William

  公开号：US08697707B2

  公开（公告）日：2014-04-15

  Disclosed are compositions comprising (a) at least one compound selected from compounds of Formula 1, N-oxides, and salt thereof, wherein R1 is phenyl optionally substituted with up to 5 substituents independently selected from R3, or pyridinyl optionally substituted with up to 4 substituents independently selected from R3; R2 is C1-C4 haloalkyl; or thiazolyl, pyridinyl or pyrimidinyl, each optionally substituted with up to 2 substituents independently selected from the group consisting of halogen and C1-C4 alkyl; each R3 is independently halogen, cyano, C1-C4 alkyl, C1-C4 haloalkyl, C1-C4 alkoxy, C1-C4 haloalkoxy, C(R4)═NOR4 or Q; each R4 is independently C1-C4 alkyl; Z is CH═CH or S; and each Q is independently phenyl or pyridinyl, each optionally substituted with up to 3 substituents independently selected from the group consisting of halogen, cyano, C1-C4 alkyl, C1-C4 haloalkyl, C1-C4 alkoxy and C1-C4 haloalkoxy; and (b) at least one invertebrate pest control agent. Also disclosed are methods for controlling an invertebrate pest comprising contacting the invertebrate pest or its environment with a biologically effective amount of a composition of the invention.

  本发明涉及一种组合物，包括（a）至少一种选择自式1化合物、N-氧化物及其盐的化合物，其中R1是苯基，可选地被高达5个独立选择自R3的取代基取代，或者是吡啶基，可选地被高达4个独立选择自R3的取代基取代；R2是C1-C4卤代烷基；或噻唑基、吡啶基或嘧啶基，每个基团可选地被高达2个独立选择自卤素和C1-C4烷基的基团取代；每个R3是独立的卤素、氰基、C1-C4烷基、C1-C4卤代烷基、C1-C4烷氧基、C1-C4卤代烷氧基、C(R4)═NOR4或Q；每个R4是独立的C1-C4烷基；Z是CH═CH或S；每个Q是独立的苯基或吡啶基，每个基团可选地被高达3个独立选择自卤素、氰基、C1-C4烷基、C1-C4卤代烷基、C1-C4烷氧基和C1-C4卤代烷氧基的基团取代；以及（b）至少一种无脊椎动物害虫控制剂。本发明还涉及一种控制无脊椎动物害虫的方法，包括将该无脊椎动物害虫或其环境与本发明组合物的生物有效量接触。
• MESOIONIC PESTICIDES
  申请人：E I DU PONT DE NEMOURS AND COMPANY

  公开号：US20130338002A1

  公开（公告）日：2013-12-19

  Disclosed are compounds of Formula 1, wherein X is O or S; Y is O or S; and R 1 , R 2 , R 3 and R 4 are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling an invertebrate pest comprising contacting the invertebrate pest or its environment with a biologically effective amount of a compound or a composition of the invention.

  本发明涉及公式1的化合物，其中X为O或S; Y为O或S; R1，R2，R3和R4如本说明书所定义。本发明还涉及含有公式1化合物的组合物以及控制无脊椎动物害虫的方法，包括将该无脊椎动物害虫或其环境与本发明的化合物或组合物的生物有效量接触。