ethyl 2,4,6-trifluorophenylglyoxylate | 918418-99-2

• 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 2,4,6-trifluorophenylglyoxylate
• 英文别名: oxo-(2,4,6-trifluoro-phenyl)-acetic acid ethyl ester；ethyl α-oxo-2,4,6-trifluorobenzeneacetate；Ethyl (2,4,6-trifluorophenyl)glyoxylate；ethyl 2-oxo-2-(2,4,6-trifluorophenyl)acetate
• CAS: 918418-99-2
• 化学式: C₁₀H₇F₃O₃
• 分子量: 232.159
• InChiKey: BGZQODNHWZDKMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl 2,4,6-trifluorophenylglyoxylate 在 palladium(II) hydroxide aluminum (III) chloride 、 氢氧化钾 、 氯化亚砜 、 水 、 potassium carbonate 、 三苯基膦 、 环己烯 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 166.0h， 生成 3-chloro-5-(4-methoxy-phenyl)-1-methyl-4-(2,4,6-trifluoro-phenyl)-1H-pyrazole
  参考文献：
  名称：

  [EN] NOVEL PYRAZOLE DERIVATIVES
  [FR] NOUVEAUX DÉRIVÉS DE PYRAZOLE

  摘要：

  该发明涉及公式（I）的新型吡唑衍生物作为活性成分，具有微生物杀灭活性，特别是真菌杀灭活性：其中R1是C1-C4烷基或C1-C卤代烷基；R2是一个可选取代的芳基或杂环芳基；R3是卤素；R4是氢、卤素、C1-C4烷基、C1-C4卤代烷基、氰基或OR6；R5是氢、卤素、C1-C4烷基、C1-C4卤代烷基、氰基或OR6；R6是氢、C1-C6烷基、C3-C7环烷基、C3-C10烷基环烷基、C1-C6卤代烷基、C2-C6烯基、C2-C卤代烯基、C3-C7环烯基、C2-C6炔基、C2-C6卤代炔基、C2-C6烷氧烷基；R7是卤素或OR6；X是N或C-R4；或其农用化学盐形式。

  公开号：

  WO2009127612A1
• 作为产物：
  描述：

  1,3,5-三氟苯 在 iron(III) chloride 、 溴 、 异丙基氯化镁 作用下， 生成 ethyl 2,4,6-trifluorophenylglyoxylate
  参考文献：
  名称：

  A new Knoevenagel-type synthesis of fully substituted γ-hydroxybutenolides

  摘要：

  The synthesis of fully substituted gamma-hydroxybutenolides is possible by a Knoevenagel-type ring condensation of alpha-methyleneketones and alpha-ketoesters under basic conditions. This novel transformation allowed the preparation of di-aryl/heteroaryl substituted hydroxyfuranones, such as 20 and 27, which are important intermediates for pyridazine fungicides. As it turned out, a whole range of different substituents, such as alkyl, cycloalkyl, aryl, heteroaryl and ester groups could be linked to the butenolide scaffold, demonstrating the broad scope of the novel cyclization. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.05.125

文献信息

• [EN] FUNGICIDAL PYRIDAZINES<br/>[FR] PYRIDAZINES FONGICIDES
  申请人：DU PONT

  公开号：WO2010036553A1

  公开（公告）日：2010-04-01

  Disclosed are compounds of Formula 1, including all geometric and stereoisomers, N-oxides, and salts thereof, wherein R1, R2, R3, R4, X, Y and m are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention.

  公开的是Formula 1的化合物，包括所有的几何和立体异构体、N-氧化物和盐，其中R1、R2、R3、R4、X、Y和m如披露中所定义。还公开了含有Formula 1化合物的组合物，以及用于控制由真菌病原体引起的植物疾病的方法，包括施用本发明的化合物或组合物的有效量。
• Method for Production of Substituted Phenylmalonate Esters, Novel Phenylmalonate Esters and Use Thereof
  申请人：Gotz Norbert

  公开号：US20080200675A1

  公开（公告）日：2008-08-21

  A process for preparing substituted phenylmalonic esters of the formula in which R is alkyl and Q is halogen, alkyl, alkoxy, haloalkyl or haloalkoxy and the index m is an integer from 1 to 5, where the groups Q can be identical or different if the index m is greater than 1, comprising steps A), B) and C): A) reaction of compounds of the formula II, in which the variables are as defined for formula I to give compounds of the formula III, B) conversion of the compounds of the formula III into ketals of the formula IV in which R′ is C 1 -C 4 -alkyl or benzyl, C) hydrolysis of the compounds of the formula IV to give compounds of the formula I; novel phenylmalonic ester derivatives, and their use as intermediates.

  一种制备公式中的取代苯丙二酸酯的方法其中R为烷基，Q为卤素，烷基，烷氧基，卤代烷基或卤代烷氧基，指数m为1到5的整数，其中如果指数m大于1，则基团Q可以相同或不同，包括步骤A），B）和C）：A）化合物II的反应，其中变量如公式I中所定义，得到化合物III的反应，B）将化合物III转化为公式IV的酮缩物，其中R′为C1-C4-烷基或苄基，C）水解化合物IV以得到公式I的化合物；新型苯丙二酸酯衍生物及其用作中间体。
• [EN] PROCESS FOR PRODUCING PYRIDAZINONE COMPOUND AND PRODUCTION INTERMEDIATES THEREOF<br/>[FR] PROCÉDÉ DE PRODUCTION D'UN COMPOSÉ PYRIDAZINONE ET PRODUCTION DE SES INTERMÉDIAIRES
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2014129612A1

  公开（公告）日：2014-08-28

  The present invention provides a process for producing a compound of the formula (1) wherein X represents a hydrogen atom, etc., and Y represents a hydrogen atom, etc., which comprises step 1 of reacting a compound of the formula (2) and a compound of the formula (3) in the presence of a Lewis acid wherein R represents a hydrogen atom, etc., to obtain an adduct, and step 2 of reacting the adduct obtained in the step 1 and hydrazine to obtain the compound of the formula (1).

  本发明提供了一种生产式（1）化合物的方法，其中X代表氢原子等，Y代表氢原子等，包括以下步骤：步骤1，在Lewis酸的存在下，将式（2）化合物和式（3）化合物反应，其中R代表氢原子等，以获得一个加合物；步骤2，在步骤1中获得的加合物和肼反应，以获得式（1）化合物。
• FUNGICIDAL PYRIDAZINES
  申请人：Sharpe Paula Louise

  公开号：US20110136762A1

  公开（公告）日：2011-06-09

  Disclosed are compounds of Formula 1, including all geometric and stereoisomers, N-oxides, and salts thereof, wherein R 1 , R 2 , R 3 , R 4 , X, Y and m are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention.

  本发明涉及公式1的化合物，包括所有几何和立体异构体、N-氧化物和其盐，其中R1、R2、R3、R4、X、Y和m如本公开说明书所定义。本发明还涉及含有公式1化合物的组合物，并且涉及应用本发明的化合物或组合物的有效量来控制由真菌病原体引起的植物病害的方法。
• PROCESS FOR PRODUCING PYRIDAZINONE COMPOUND AND PRODUCTION INTERMEDIATES THEREOF
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20150376138A1

  公开（公告）日：2015-12-31

  The present invention provides a process for producing a compound of the formula (1) wherein X represents a hydrogen atom, etc., and Y represents a hydrogen atom, etc., which comprises step 1 of reacting a compound of the formula (2) and a compound of the formula (3) in the presence of a Lewis acid wherein R represents a hydrogen atom, etc., to obtain an adduct, and step 2 of reacting the adduct obtained in the step 1 and hydrazine to obtain the compound of the formula (1).

  本发明提供了一种制备式(1)化合物的方法，其中X代表氢原子等，Y代表氢原子等，包括以下步骤：步骤1，在路易斯酸的存在下，将式(2)化合物和式(3)化合物反应以获得加合物，其中R代表氢原子等；步骤2，将步骤1中获得的加合物和肼反应以获得式(1)化合物。