1-(4-amino-2-fluorophenyl)-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one | 127350-96-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-amino-2-fluorophenyl)-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one
• 英文别名: 1-(2-fluoro-4-aminophenyl)-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one；1-(2-Fluoro-4-aminophenyl)-3-methyl-4-(difluoromethyl)-1H-1,2,4-triazol-5(4H)-one；2-(4-amino-2-fluorophenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one
• CAS: 127350-96-3
• 化学式: C₁₀H₉F₃N₄O
• 分子量: 258.203
• InChiKey: ZWENDWBAAJYCTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  61.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(4-amino-2-fluorophenyl)-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one 在 盐酸 、 硫酸 、 硝酸 、 sodium nitrite 作用下， 以 丙酮 为溶剂， 反应 3.0h， 生成 2-Chloro-3-[4-(4-difluoromethyl-3-methyl-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl)-5-fluoro-2-nitro-phenyl]-propionic acid methyl ester
  参考文献：
  名称：

  Structural replacements for the benzoxazinone protox inhibitors

  摘要：

  Substituted benzoxazinones are a class of highly active inhibitors of protoporphyrinogen oxidase (protox) which are effective at controlling grass and broadleaf weeds at low rates, As part of the process of optimization of the herbicidal activity of the 6-heterocyclic benzoxazinones, a number of replacements were prepared for the oxazinone ring. Quantitative structure-activity relationships (QSAR) were developed for the benzoxazinone replacements using molecular properties, and these were compared to published QSAR for the acyclic 2,4,5-trisubstituted arylheterocyclic protox inhibitors. That the molecular properties of the acyclic and bicyclic protox inhibitors are similar suggest they may be interacting with the same binding site. (C) 1999 Society of Chemical Industry.

  DOI：

  10.1002/(sici)1096-9063(199903)55:3<281::aid-ps930>3.0.co;2-g
• 作为产物：
  描述：

  1-(2-fluoro-4-nitrophenyl)-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one 以 乙醇 为溶剂， 生成 1-(4-amino-2-fluorophenyl)-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one
  参考文献：
  名称：

  Herbicidal combinations containing

  摘要：

  含有杀草剂2-(4-杂环苯氧甲基)苯氧基!-癸酸酯的除草剂组合物与其他除草剂的组合物被揭示。这些杀草剂2-(4-杂环苯氧甲基)苯氧基!-癸酸酯的化学式为##STR1##其中R'为甲基，W为氧，Q为##STR2##R为氢，M，较低的烷基；由3到6个碳原子组成的环烷基；较低的烯基；或较低的炔基，每个选项都可以用一个或多个氯或氟取代，或--CHR.sup.7 --(CH.sub.2).sub.m O!.sub.n R.sup.8；R.sup.1到R.sup.5中的每一个都是较低的烷基或较低的卤代烷基；R.sup.6是较低的烷基，较低的卤代烷基，较低的氰基烷基，较低的烷氧基烷基，较低的烷氧羰基烷基，较低的芳基烷基，或氨基；R.sup.7是氢或甲基；R.sup.8是较低的烷基；X是氢，甲基，氟或氯；Y是氢；Z是氢，氟，氯，溴，较低的烷基或甲氧基；Z'是氢，氟或氯；Z和Z'一起可以是--(CH.sub.2).sub.4 --形成四氢萘基；m为0到2，n为1到6；M为钠，钾或铵。这些杀草剂癸酸酯与控制草类或阔叶杂草的除草剂一起使用。

  公开号：

  US05798316A1

文献信息

• Herbicical 2-[(4-heterocyclic-phenoxymethyl)phenoxy]-alkanoates
  申请人：FMC Corporation

  公开号：US05262390A1

  公开（公告）日：1993-11-16

  Herbicidal compounds, compositions containing them, and a method for controlling weeds by application of the compositions are disclosed. The herbicidal compounds are 2-[(4-heterocyclic(phenoxymethyl)phenoxy]alkanoates of the formula ##STR1## in which A is a derivative of an alkanoate bonded to the phenoxy oxygen at the alpha carbon, and Q is 4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-on-1-yl, 3,4,5,6-tetrahydrophthalimid-1-yl, 1-(1-methylethyl)imidazolidin-2,4-dion-3-yl, 1,4-dihydro-4-(3-fluoropropyl)-5H-tetrazol-5-on-1-yl, 3-chloro-4,5,6,7-tetrahydroindazol-2-yl, 4-methyl-1,2,4-triazine-3,5-dion-2-yl, 8-thia-1,6-diazabicyclo[4.3.0]nonane-7-on-9-ylimino, or 1-methyl-6-trifluoromethyl-2,4-pyrimidinedione-3-yl; X is hydrogen, fluorine, or chlorine; Y is hydrogen; W is oxygen or sulfur; Z is hydrogen, fluorine, chlorine, bromine, lower alkyl, or methoxy; Z' is hydrogen, fluorine, or chlorine; and the group AO-- may be in the 2, 3, or 4-position of the phenyl ring.

  除草化合物、含有这些化合物的组合物以及通过应用这些组合物来控制杂草的方法被披露。这些除草化合物是具有以下式子的2-[(4-杂环(苯氧甲基)苯氧基]烷酸盐：其中A是与苯氧基氧原子在α碳上键合的烷酸盐衍生物，Q是4-二氟甲基-4,5-二氢-3-甲基-1,2,4-三唑-5(1H)-酮-1-基，3,4,5,6-四氢邻苯二甲酰亚胺-1-基，1-(1-甲基乙基)咪唑啉-2,4-二酮-3-基，1,4-二氢-4-(3-氟丙基)-5H-四唑-5-酮-1-基，3-氯-4,5,6,7-四氢吲哚-2-基，4-甲基-1,2,4-三嗪-3,5-二酮-2-基，8-硫代-1,6-二氮杂双环[4.3.0]壬烷-7-酮-9-亚基，或1-甲基-6-三氟甲基-2,4-嘧啶二酮-3-基；X是氢、氟或氯；Y是氢；W是氧或硫；Z是氢、氟、氯、溴、低碳烷基或甲氧基；Z'是氢、氟或氯；而AO--基团可以位于苯环的2、3或4位。
• Herbicidal 2-[(4-heterocyclic-phenoxymethyl)phenoxy]-alkanoates
  申请人：FMC Corporation

  公开号：US05344812A1

  公开（公告）日：1994-09-06

  Herbicidal compounds, compositions containing them, and a method for controlling weeds by application of the compositions are disclosed. The herbicidal compounds are 2-[(4-heterocyclic-phenoxymethyl)phenoxy]alkanoates of the formula ##STR1## in which A is a derivative of an alkanoate bonded to the phenoxy oxygen at the alpha carbon, and Q is 4-difluoromethyl-4,5-dihydro-3-methyl-l,2,4-triazol-5(1H)-on-1-yl, 3,4,5,6-tetrahydrophthalimid-1-yl, 1-(1-methylethyl)imidazolidin-2,4-dion-3-yl, 1,4-dihydro-4-(3-fluoropropyl)-5H-tetrazol-5-on-1-yl, 3-chloro-4,5,6,7-tetrahydroindazol-2-yl, 4-methyl-l,2,4-triazine-3,5-dion-2-yl, 8-thia-1,6-diazabicyclo[4.3.0]-nonane-7-on-9-ylimino, or 1-methyl-6-trifluoromethyl-2,4-pyrimidinedione-3-yl; X is hydrogen, methyl, fluorine, or chlorine; Y is hydrogen; W is oxygen or sulfur; Z is hydrogen, fluorine, chlorine, bromine, lower alkyl, or methoxy; Z' is hydrogen, fluorine, or chlorine; and the group AO-- may be in the 2, 3, or 4-position of the phenyl ring.

  除草化合物、含有这些化合物的组合物以及通过应用这些组合物来控制杂草的方法被披露。这些除草化合物是具有以下式子的2-[(4-杂环-苯氧甲基)苯氧基]烷酸酯：##STR1## 其中A是与苯氧氧原子在α碳上结合的烷酸酯的衍生物，Q是4-二氟甲基-4,5-二氢-3-甲基-1,2,4-三唑-5(1H)-酮-1-基，3,4,5,6-四氢邻苯二甲酰亚胺-1-基，1-(1-甲基乙基)咪唑啉-2,4-二酮-3-基，1,4-二氢-4-(3-氟丙基)-5H-四唑-5-酮-1-基，3-氯-4,5,6,7-四氢吲哚-2-基，4-甲基-1,2,4-三嗪-3,5-二酮-2-基，8-硫代-1,6-二氮杂双环[4.3.0]-壬烷-7-酮-9-亚基，或1-甲基-6-三氟甲基-2,4-嘧啶二酮-3-基；X是氢、甲基、氟或氯；Y是氢；W是氧或硫；Z是氢、氟、氯、溴、低碳基或甲氧基；Z'是氢、氟或氯；以及AO--基团可能位于苯环的2、3或4位。
• Substituted quinolinonyl and dihydroquinolinonyl triazolinone herbicides
  申请人：FMC Corporation

  公开号：US04894084A1

  公开（公告）日：1990-01-16

  Quinolinone compounds of the formula ##STR1## in which R.sup.3 is H, alkyl, alkenyl, alkynyl, haloalkyl, haloalkenyl, alkoxyalkyl, alkoxyalkoxyalkyl, cycloalkyl, alkylthioalkyl, aralkyl, cyanoalkyl, alkoxycarbonylalkyl, hydroxy, or alkoxy; X is H, halogen, alkyl, or haloalkyl; Y is H, halogen, alkyl, haloalkyl, alkoxycarbonyl, cyano, or nitro; Z is H, halogen, alkyl, haloalkyl, alkoxy, alkenyl, alkynyl, haloalkoxy, alkylthio, alkylsulfinyl, alkylsulfonyl, alkoxycarbonyl, cyano, or nitro; R.sup.1 is alkyl, alkenyl, alkynyl, haloalkyl, alkoxyalkyl, or haloalkoxyalkyl; and R.sup.2 is alkyl, haloalkyl, alkoxy, haloalkoxy, alkylthio, alkylsulfinyl, alkylsulfonyl, or halogen; and the corresponding 3,4-dihydroquinolinone compounds as herbicides.

  公式为##STR1##的喹啉酮化合物，其中R.sup.3为H、烷基、烯基、炔基、卤代烷基、卤代烯基、烷氧基烷基、烷氧基烷氧基烷基、环烷基、烷硫基烷基、芳基烷基、氰基烷基、烷氧羰基烷基、羟基或烷氧基；X为H、卤素、烷基或卤代烷基；Y为H、卤素、烷基、卤代烷基、烷氧羰基、氰基或硝基；Z为H、卤素、烷基、卤代烷基、烷氧基、烯基、炔基、卤代烷氧基、烷硫基、烷烯基、烷基烯氧基、烷基硫基、烷基磺基、烷氧羰基、氰基或硝基；R.sup.1为烷基、烯基、炔基、卤代烷基、烷氧基烷基或卤代烷氧基；R.sup.2为烷基、卤代烷基、烷氧基、卤代烷氧基、烷硫基、烷烯基、烷基硫基、烷基磺基或卤素；以及相应的3,4-二氢喹啉酮化合物作为除草剂。
• Herbicidal compositions comprising
  申请人：FMC Corporation

  公开号：US05674810A1

  公开（公告）日：1997-10-07

  Herbicidal compounds, compositions containing them, and a method for controlling weeds by application of the compositions are disclosed. The herbicidal compounds are 2-\x9b(4-heterocyclic-phenoxymethyl)phenoxy!alkanoates of the formula ##STR1## in which A is a derivative of an alkanoate bonded to the phenoxy oxygen at the alpha carbon; X is hydrogen, methyl, fluorine, or chlorine; Y is hydrogen; W is oxygen or sulfur; Z is hydrogen, fluorine, chlorine, bromine, lower alkyl, or methoxy; Z' is hydrogen, fluorine, or chlorine; and the group AO-- may be in the 2, 3, or 4-position of the phenyl ring.

  本发明揭示了除草化合物、含有它们的组合物以及通过应用这些组合物控制杂草的方法。除草化合物是公式2- \ x9b（4-杂环-苯氧甲基）苯氧基！脂肪酸盐，其中A是与苯氧氧原子在α碳上结合的脂肪酸盐的衍生物；X是氢、甲基、氟或氯；Y是氢；W是氧或硫；Z是氢、氟、氯、溴、低碳基或甲氧基；Z'是氢、氟或氯；并且AO-基团可以位于苯环的2、3或4位置。
• THEODORIDIS, GEORGE
  作者：THEODORIDIS, GEORGE

  DOI：——

  日期：——