2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidine-1-yl]phenol | 114136-60-6

• 物质功能分类: 医药中间体 - 杂环化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidine-1-yl]phenol
• 英文别名: 3-[4-chloro-2-fluoro-5-(hydroxy)phenyl]-1-methyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione；1-methyl-6-trifluoromethyl-3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2,4(1H,3H)-pyrimidinedione；2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenol；2-chloro-4-fluoro-5-{3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl}phenol；2-chloro-4-fluoro-5-(3-methyl-2,6-dioxo-4-trifluoromethyl-1,2,3,6-tetrahydropyrimidin-1-yl)phenol；3-[4-chloro-2-fluoro-5-(hydroxy)phenyl]-1-methyl-6-(trifluoromethyl)-2,4(1H, 3H)-pyrimidinedione；3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
• CAS: 114136-60-6
• 化学式: C₁₂H₇ClF₄N₂O₃
• 分子量: 338.646
• InChiKey: MCGXGTQNPFLTOY-UHFFFAOYSA-N

物化性质

• 沸点：
  380.5±52.0 °C(Predicted)
• 密度：
  1.654±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  60.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidine-1-yl]phenol 生成 1-methyl-6-trifluoromethyl-3-(4-chloro-2-fluoro-5-hydroxy-6-nitrophenyl)-2,4(1H,3H)-pyrimidinedione
  参考文献：
  名称：

  Novel oxygen containing fused cyclic derivatives and herbicidal, desiccant and defoliate compositions containing them

  摘要：

  公式（I）的含氧融合环化合物或其盐，其制备方法以及它们作为除草剂、植物生长调节剂、脱水剂和落叶剂的用途。公式（I）中的变量在规范中定义。

  公开号：

  US20040157738A1
• 作为产物：
  描述：

  pyrimidinedione diazonium 在 copper(II) sulfate 、 iron(II) sulfate 作用下， 以 水 、 xylene 为溶剂， 反应 20.0h， 生成 2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidine-1-yl]phenol
  参考文献：
  名称：

  Cycloimido-substituted benzofused heterocyclic herbicides

  摘要：

  揭示了一种新型除草化合物、含有它们的组合物以及在控制杂草中使用它们的方法。这些新型除草化合物由式I表示：其中J是1-取代-6-三氟甲基-2,4-嘧啶二酮-3-基、1-取代-6-三氟甲基-1,3,5-三嗪-2,4-二酮-1-基、3,4,5,6-四氢邻苯二酰亚胺-1-基、4-二氟甲基-4,5-二氢-3-甲基-1,2,4-三唑-5(1H)-酮-1-基、5,6,7,8-四氢-1H,3H-[1,3,4]噻二唑并咪唑啉-1-基，或者1,6,8-三氮杂双环[4.3.0]-壬烷-7,9-二酮-8-基环连接在苯并呋喃、苯并噁唑、吲哚、2,3-二氢苯并咪唑或苯并咪唑的7位，X选自氢、卤素、氰基、硝基和氨基。首选的R基是可选择地取代的烷基基团。

  公开号：

  US06352958B1

文献信息

• 3-Aryluracils having an ether (thio) carbomyloxy or sulphomyloxy
  申请人：Hoffmann-La Roche Inc.

  公开号：US04859229A1

  公开（公告）日：1989-08-22

  The invention is concerned with 3-aryluracils of the formula ##STR1## wherein R.sup.1, R.sup.2, R.sup.3, R.sup.4, R.sup.5 and R.sup.6 are as described herein, as well as salts thereof and their manufacture, weed control compositions which contain such compounds as the active substance and the use of the active substances or compositions for weed control. The invention is also concerned with herbicidally-active starting materials and weed control compositions containing these.

  这项发明涉及式子##STR1##中的3-芳基尿嘧啶，其中R.sup.1、R.sup.2、R.sup.3、R.sup.4、R.sup.5和R.sup.6如本文所述，以及它们的盐及其制备方法，含有这些化合物作为活性物质的除草剂组合物以及利用这些活性物质或组合物进行除草的用途。该发明还涉及具有除草活性的起始材料和含有这些起始材料的除草剂组合物。
• URACIL COMPOUNDS AND A HERBICIDE COMPRISING THE SAME
  申请人：Ko Young Kwan

  公开号：US20110224083A1

  公开（公告）日：2011-09-15

  Disclosed are uracil compounds represented by Formula 1, a method for preparing the compounds, and a herbicide including the same as an active ingredient: wherein R 1 , R 2 , R 3 , R 4 , R 5 , X, Y, Z and W are the same as defined in the detailed description.

  公开了由式1表示的尿嘧啶化合物，以及制备这些化合物的方法，以及包含其作为活性成分的除草剂：其中R1、R2、R3、R4、R5、X、Y、Z和W与详细说明中定义的相同。
• Uracil compounds and use thereof
  申请人：Sumitomo Chemical Company, Limited

  公开号：US06537948B1

  公开（公告）日：2003-03-25

  The present invention relates to an uracil compound of the formula [I]: [wherein, Q—R3 represents a R3-substituted group of a 5-membered or 6-membered heterocyclic ring having one or two nitrogen selected from the group consisting of moieties represented in the specification (wherein, this heterocyclic ring may be substituted with at least one kind of substituent, Y represents oxygen, sulfur, imino or C1 to C3 alkylimino, R1 represents C1 to C3 alkyl or C1 to C3 haloalkyl, R2 represents C1 to C3 alkyl, R3 represents carboxy C1 to C6 alkyl, C1 to C6 alkoxycarbonyl C1 to C6 alkyl, OR7, SR8, N(R9)R10 or the like, X1 represents halogen, cyano, thiocarbamoyl or nitro, X2 represents hydrogen or halogen. {wherein, each of R7, R8 and R10 independently represents carboxy C1 to C6 alkyl, C1 to C6 alkoxycarbonyl C1 to C6 alkyl, C1 to C6 haloalkoxycarbonyl C1 to C6 alkyl, or the like, and R9 represents hydrogen or C1 to C6 alkyl.}.]. The present compound has an excellent herbicidal activity.

  本发明涉及一种尿嘧啶化合物，其化学式为[I]：[其中，Q-R3代表选择自本规范中所表示的基团的5元或6元杂环环中的一个或两个氮原子的R3取代基团（其中，该杂环环可以用至少一种取代基团取代，Y代表氧、硫、亚胺或C1至C3烷基亚胺，R1代表C1至C3烷基或C1至C3卤代烷基，R2代表C1至C3烷基，R3代表羧基C1至C6烷基、C1至C6烷氧基羰基C1至C6烷基、OR7、SR8、N（R9）R10或类似物，X1代表卤素、氰基、硫脲基或硝基，X2代表氢或卤素。[其中，R7、R8和R10各自独立地代表羧基C1至C6烷基、C1至C6烷氧基羰基C1至C6烷基、C1至C6卤代烷氧基羰基C1至C6烷基或类似物，R9代表氢或C1至C6烷基]。该化合物具有优异的除草活性。
• Pyrimidine compounds as herbicides
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US05602077A1

  公开（公告）日：1997-02-11

  A method is disclosed for controlling the growth of undesired vegetation in a plantation crop by applying to the locus of the crop an effective amount of a compound of formula I ##STR1## and A, R.sup.1, R.sup.2, R.sup.3, R.sup.4, X, Y and Z are as defined in the disclosure. Also disclosed are novel substituted heterocyclic compounds and their agriculturally suitable compositions which are generally useful as herbicides, as well as methods of their use as general or selective preemergent or postemergent herbicides, or as plant growth regulants.

  本发明公开了一种通过向种植作物的生长地点施用式I的化合物的有效量来控制不良杂草生长的方法，其中A，R1，R2，R3，R4，X，Y和Z如本文所定义。还公开了新的取代杂环化合物及其农业适用的组合物，这些组合物通常可用作除草剂，以及它们的用途方法，作为一般或选择性的早期或后期除草剂，或作为植物生长调节剂。
• Method for controlling weeds
  申请人：——

  公开号：US20020006871A1

  公开（公告）日：2002-01-17

  The present invention relates to a method for controlling weeds in corn field which comprises applying a herbicidal composition comprising 2-[2-chloro-4-fluoro-5- {3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6- tetrahydropyrimidin-1-yl}phenoxy]propionic acid ester as an active ingredient to corn fields after seeding corn. According to the present method, kinds of weeds in corn fields can be controlled widely and no problematic phytotoxicity to corn is caused.

  本发明涉及一种控制玉米田杂草的方法，该方法包括在播种玉米后向玉米田施用包含2-[2-氯-4-氟-5-(3-甲基-2,6-二氧代-4-三氟甲基)-1,2,3,6-四氢嘧啶-1-基]苯氧丙酸酯作为活性成分的除草剂组合物。根据本方法，可以广泛地控制玉米田中的各种杂草，而不会对玉米产生问题的植物毒性。