ethyl 2-(5-fluoro-2-trifluormethyl-phenyl)-acetate | 331953-68-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 2-(5-fluoro-2-trifluormethyl-phenyl)-acetate
• 英文别名: ethyl 2-(5-fluoro-2-trifluoromethyl-phenyl)-acetate；ethyl 2-[5-fluoro-2-(trifluoromethyl)phenyl]acetate
• CAS: 331953-68-5
• 化学式: C₁₁H₁₀F₄O₂
• 分子量: 250.193
• InChiKey: KZKABQBDOQPHCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl 2-(5-fluoro-2-trifluormethyl-phenyl)-acetate 、 碳酸二乙酯 在 sodium ethanolate 作用下， 生成 diethyl (5-fluoro-2-trifluoromethyl-phenyl)-malonate
  参考文献：
  名称：

  6-(2-trifluoromethyl-phenyl)-triazolopyrimidines

  摘要：

  本文描述了式I的6-(2-Trifluoromethyl-苯基)-三唑嘧啶化合物，其中R1和R2独立表示氢或烷基，烯基，炔基，烯炔基或卤代烷基，环烷基，双环烷基，苯基，萘基，或含有1至4个氮原子或1至3个氮原子和1个硫或氧原子的5或6元杂环基，或含有1至4个氮原子或1至3个氮原子和1个硫或氧原子的5或6元杂环芳基，其中R1和R2基团可以是未取代或按规范定义取代的；或者R1和R2与相邻的氮原子一起表示含有1至4个氮原子或1至3个氮原子和1个硫或氧原子的5或6元杂环环，该环可以是按规范定义取代的；R3表示氢，卤素，烷基，烷氧基和卤代烷基；X表示卤素；描述了制备这些化合物的过程和中间体，包括它们的组合物以及它们用于控制植物病原真菌的用途。

  公开号：

  US06559151B2
• 作为产物：
  描述：

  5-氟-2-(三氟甲基)苯乙酸 在 硫酸 作用下， 以 乙醇 为溶剂， 生成 ethyl 2-(5-fluoro-2-trifluormethyl-phenyl)-acetate
  参考文献：
  名称：

  6-(2-trifluoromethyl-phenyl)-triazolopyrimidines

  摘要：

  本文描述了式I的6-(2-Trifluoromethyl-苯基)-三唑嘧啶化合物，其中R1和R2独立表示氢或烷基，烯基，炔基，烯炔基或卤代烷基，环烷基，双环烷基，苯基，萘基，或含有1至4个氮原子或1至3个氮原子和1个硫或氧原子的5或6元杂环基，或含有1至4个氮原子或1至3个氮原子和1个硫或氧原子的5或6元杂环芳基，其中R1和R2基团可以是未取代或按规范定义取代的；或者R1和R2与相邻的氮原子一起表示含有1至4个氮原子或1至3个氮原子和1个硫或氧原子的5或6元杂环环，该环可以是按规范定义取代的；R3表示氢，卤素，烷基，烷氧基和卤代烷基；X表示卤素；描述了制备这些化合物的过程和中间体，包括它们的组合物以及它们用于控制植物病原真菌的用途。

  公开号：

  US06559151B2

文献信息

• 6-(2-Trifluoromethyl-phenyl)-triazolopyrimidines
  申请人：BASF Corporation

  公开号：US20020061882A1

  公开（公告）日：2002-05-23

  6-(2-Trifluoromethyl-phenyl)-triazolopyrimidines of formula I 1 in which R 1 and R 2 independently denote hydrogen or alkyl, alkenyl, alkynyl, alkadienyl, or haloalkyl, cycloalkyl, bicycloalkyl, phenyl, naphthyl, or 5- or 6-membered heteroaryl, containing one to four nitrogen atoms or one to three nitrogen atoms and one sulfur or oxygen atom, or 5- or 6-membered heteroaryl, containing one to four nitrogen atoms or one to three nitrogen atoms and one sulfur or oxygen atom, or where R 1 and R 2 radicals may be unsubstituted or substituted as defined in the specification; or R 1 and R 2 together with the interjacent nitrogen atom represent a 5- or 6-membered heterocyclic ring, containing one to four nitrogen atoms or one to three nitrogen atoms and one sulfur or oxygen atom, which may be substituted as defined in the specification; R 3 is hydrogen, halogen, alkyl, alkoxy and haloalkyl; and X is halogen; processes and intermediates for preparing these compounds, compositions comprising them and their use for controlling phytopathogenic fungi are described.

  公式I1中的6-(2-三氟甲基苯基)-三唑嘧啶，其中R1和R2独立地表示氢或烷基，烯基，炔基，烷二烯基或卤代烷基，环烷基，双环烷基，苯基，萘基或5-或6-成员杂芳基，含有一到四个氮原子或一个氮原子和一个硫或氧原子，或5-或6-成员杂芳基，含有一到四个氮原子或一个氮原子和一个硫或氧原子，或其中R1和R2基团可以未被取代或按规范中定义被取代；或R1和R2与相邻的氮原子一起代表一个5-或6-成员杂环，其中包含一到四个氮原子或一个氮原子和一个硫或氧原子，可以按规范中定义被取代；R3是氢，卤素，烷基，烷氧基和卤代烷基；X是卤素；描述了制备这些化合物的过程和中间体，包含它们的组合物以及它们用于控制植物病原真菌的用途。
• 6-(2-trifluoromethyl-phenyl)-triazolopyrimidines
  申请人：BASF Aktiengesellschaft

  公开号：US06559151B2

  公开（公告）日：2003-05-06

  6-(2-Trifluoromethyl-phenyl)-triazolopyrimidines of formula I in which R1 and R2 independently denote hydrogen or alkyl, alkenyl, alkynyl, alkadienyl, or haloalkyl, cycloalkyl, bicycloalkyl, phenyl, naphthyl, or 5- or 6-membered heterocyclyl, containing one to four nitrogen atoms or one to three nitrogen atoms and one sulfur or oxygen atom, or 5- or 6-membered heteroaryl, containing one to four nitrogen atoms or one to three nitrogen atoms and one sulfur or oxygen atom, or where R1 and R2 radicals may be unsubstituted or substituted as defined in the specification; or R1 and R2 together with the interjacent nitrogen atom represents a 5- or 6-membered heterocyclic ring, containing one to four nitrogen atoms or one to three nitrogen atoms and one sulfur or oxygen atom, which may be substituted as defined in the specification; R3 is hydrogen, halogen, alkyl, alkoxy and haloalkyl; and X is halogen; processes and intermediates for preparing these compounds, compositions comprising them and their use for controlling phytopathogenic fungi are described.

  化合物I的结构式为6-(2-Trifluoromethyl-phenyl)-triazolopyrimidines，其中R1和R2独立地表示氢或烷基、烯基、炔基、烯二烃基或卤代烷基、环烷基、双环烷基、苯基、萘基、或含有1到4个氮原子或1到3个氮原子和1个硫或氧原子的5或6元杂环基，或含有1到4个氮原子或1到3个氮原子和1个硫或氧原子的5或6元杂环芳基，其中R1和R2基团可以是未取代的或按规范定义取代的；或R1和R2与介在的氮原子一起表示含有1到4个氮原子或1到3个氮原子和1个硫或氧原子的5或6元杂环环，其可以是按规范定义取代的；R3表示氢、卤素、烷基、烷氧基和卤代烷基；X表示卤素；描述了制备这些化合物的过程和中间体、包含它们的组合物以及它们用于控制植物病原真菌的用途。
• US6559151B2
  申请人：——

  公开号：US6559151B2

  公开（公告）日：2003-05-06
• [EN] FUNGICIDAL 6-(TRIFLUOROMETHYL-PHENYL)-TRIAZOLOPYRIMIDINES<br/>[FR] 6-(2-TRIFLUOROMETHYL-PHENYL)-TRIAZOLOPYRIMIDINES FONGICIDES
  申请人：BASF AG

  公开号：WO2002046195A1

  公开（公告）日：2002-06-13

  6-(2-Trifluoromethyl-phenyl)-triazolopyrimidines of formula I: Formula (I), in which R?1 and R2¿ independently denote hydrogen or alkyl, alkenyl, alkynyl, alkadienyl, or haloalkyl, cycloalkyl, bicycloalkyl, phenyl, naphtyl, or 5- or 6-membered heterocyclyl, containing one to four nitrogen atoms or one to three nitrogen atoms and one sulfur or oxygen atom, or 5- or 6-membered heteroaryl, containing one to four nitrogen atoms or one to three nitrogen atoms and one sulfur or oxygen atom, or where R?1 and R2¿ radicals may be unsubstituted or substituted as defined in the specification, or R?1 and R2¿ together with the interjacent nitrogen atom represent a 5- or 6-membered heterocyclic ring, containing one to four nitrogen atoms or one to three nitrogen atoms and one sulfur or oxygen atom, which may be substituted as defined in the specification; R3 is hydrogen, halogen, alkyl, alkoxy and haloalkyl; and X is halogen; processes and intermediates for preparing these compounds, compositions comprising them and their use for controlling phytopathogenic fungi are described.
• FUNGICIDAL 6-(TRIFLUOROMETHYL-PHENYL)-TRIAZOLOPYRIMIDINES
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP1341794B1

  公开（公告）日：2004-08-18