2-chloro-4-fluoro-5-isocyanato-benzoic acid-1-methylethylester | 91151-71-2

• 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: 2-chloro-4-fluoro-5-isocyanato-benzoic acid-1-methylethylester
• 英文别名: 2-fluoro-4-chloro-5-isopropoxycarbonylphenyl isocyanate；isopropyl 2-chloro-4-fluoro-5-isocyanatobenzoate；4-chloro-2-fluoro-5-isopropoxycarbonylphenylisocyanate；1-methylethyl 2-chloro-4-fluoro-5-isocyanatobenzoate；propan-2-yl 2-chloro-4-fluoro-5-isocyanatobenzoate
• CAS: 91151-71-2
• 化学式: C₁₁H₉ClFNO₃
• 分子量: 257.649
• InChiKey: UAHXBOAKPTWXNS-UHFFFAOYSA-N

物化性质

• 沸点：
  335.1±42.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  55.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-chloro-4-fluoro-5-isocyanato-benzoic acid-1-methylethylester 以 N-甲基乙酰胺 、 正己烷 为溶剂， 生成 isopropyl 2-chloro-4-fluoro-5-{3-[2-(ethoxycarbonyl)-2-fluoro-1-trifluoromethyl-vinyl]-ureido}-benzoate
  参考文献：
  名称：

  3-(5-carboxy-4-substituted-phenyl)-(thio)uracil-esters and salts

  摘要：

  本公开涉及新颖的3-芳基尿嘧啶，其化学式为##STR1##其中R.sup.1、R.sup.2、R.sup.3、R.sup.4、R.sup.5、R.sup.6和X的含义如描述中所示，以及它们的盐和制备方法，含有这些化合物作为活性成分的除草剂组合物，以及利用这些活性成分或组合物来控制杂草。本公开还涉及某些具有除草活性的起始材料和含有这些起始材料作为活性成分的除草剂组合物。

  公开号：

  US04746352A1
• 作为产物：
  描述：

  1-methylethyl 5-amino-2-chloro-4-fluorobenzoate 、 氯甲酸三氯甲酯 以 乙酸乙酯 为溶剂， 反应 3.25h， 以to give 15.45 g (yield 99.9%) of the desired product as nearly white crystals with a melting point of 41°-43° C.的产率得到2-chloro-4-fluoro-5-isocyanato-benzoic acid-1-methylethylester
  参考文献：
  名称：

  Heterocyclic compound and a herbicidal composition containing said

  摘要：

  本发明公开了一种化合物，其化学式为：##STR1## 其中R.sub.4为低碳基，X为氧或硫，n为3或4的整数；R.sub.1为氢或卤素；R.sub.2为卤素；R.sub.3为氢或C.sub.1-C.sub.8-烷基，可以具有较低的烷氧基；一种含有该化合物作为有效成分的除草剂组合物；使用该化合物杀死杂草的方法；以及该化合物的生产工艺。

  公开号：

  US04531964A1

文献信息

• Herbicidal heterocyclic compounds
  申请人：Hoffmann-La Roche Inc.

  公开号：US04812164A1

  公开（公告）日：1989-03-14

  The invention is concerned with novel C.sub.1-4 -alkyl, C.sub.2-4 -alkenyl and C.sub.3 or 4 -alkynyl enol ethers of 3-aryluracils of the formula ##STR1## wherein R.sup.1, R.sup.2, R.sup.3, R.sup.4, R.sup.5 and X are as defined in the specification, their manufacture, weed control compositions which contain such enol ethers as the active substance and the use of the active substances or compositions for the control of weeds. The invention is also concerned with certain novel intermediates, some of which possess herbicidal activity, and with weed control compositions containing such active substances.

  这项发明涉及新颖的3-芳基尿嘧啶的C.sub.1-4-烷基，C.sub.2-4-烯基和C.sub.3或4-炔基烯醇醚，其化学式如下所示：其中R.sup.1，R.sup.2，R.sup.3，R.sup.4，R.sup.5和X如规范中定义，它们的制造，含有这种烯醇醚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来控制杂草。该发明还涉及某些新颖的中间体，其中一些具有除草活性，并且含有这种活性物质的除草剂组合物。
• 1H[1,2,4]-Triazolo[1,2-a]pyridazine-1,3-diones useful as herbicides
  申请人：Nippon Kayaku Kabushiki Kaisha

  公开号：US04561880A1

  公开（公告）日：1985-12-31

  A compound of the formula: ##STR1## wherein Z is ##STR2## wherein R.sub.4 is lower alkyl, X and Y are oxygen or sulfur and n is an integer of 3 to 6, R.sub.1 is hydrogen or halogen, R.sub.2 is halogen and R.sub.3 is hydrogen or C.sub.1 -C.sub.8 -alkyl which may have lower alkoxy; a herbicidal composition containing said compound as an effective component; a method for killing weeds using said compound; and processes for the production of said compound, are disclosed hereinafter.

  一种化合物的分子式为：##STR1## 其中Z为##STR2## 其中R.sub.4为较低的烷基，X和Y为氧或硫，n为3至6的整数，R.sub.1为氢或卤素，R.sub.2为卤素，R.sub.3为氢或C.sub.1 -C.sub.8 -烷基，可能带有较低的烷氧基；包含该化合物作为有效成分的除草剂组合物；使用该化合物杀灭杂草的方法；以及该化合物的生产方法，以下将披露。
• 3-aryldihydrouracils
  申请人：Uniroyal Chemical Company, Inc.

  公开号：US04927451A1

  公开（公告）日：1990-05-22

  A compound having the structural formula ##STR1## where R.sup.1 is hydrogen, C.sub.1 -C.sub.4 alkyl, C.sub.3 -C.sub.6 cycloalkyl, C.sub.3 -C.sub.4 alkenyl or trifluoromethyl; R.sup.2 is C.sub.1 -C.sub.4 alkyl, C.sub.3 -C.sub.6 cycloalkyl, C.sub.3 --C.sub.4 alkenyl, C.sub.7 -C.sub.10 aralkyl or C.sub.7 -C.sub.10 haloaralkyl; R.sup.3 is hydrogen or C.sub.1 -C.sub.4 alkyl; R.sup.4 is hydrogen or C.sub.1 -C.sub.2 alkyl; X is halogen; Y is hydrogen, C.sub.1 -C.sub.4 alkyl or halogen; and Z is oxygen or sulfur is disclosed. In addition, a process for forming the compound is set forth. A method for controlling weeds which comprises applying a herbicidally effective amount of the compound recited above is also described. Finally, a composition, useful as a herbicide, including the compound of this invention and a suitable carrier therefor is taught.

  公开了一种化合物，其结构式为##STR1##其中R.sup.1是氢，C.sub.1-C.sub.4烷基，C.sub.3-C.sub.6环烷基，C.sub.3-C.sub.4烯基或三氟甲基; R.sup.2是C.sub.1-C.sub.4烷基，C.sub.3-C.sub.6环烷基，C.sub.3-C.sub.4烯基，C.sub.7-C.sub.10芳基烷基或C.sub.7-C.sub.10卤代芳基烷基; R.sup.3是氢或C.sub.1-C.sub.4烷基; R.sup.4是氢或C.sub.1-C.sub.2烷基; X是卤素; Y是氢，C.sub.1-C.sub.4烷基或卤素; Z是氧或硫。此外，还提供了一种制备该化合物的方法。还描述了一种控制杂草的方法，其中包括施用上述化合物的除草剂有效量。最后，还教授了一种包括本发明化合物和适当载体的有用除草剂组合物。
• O-Halobenzoic acid derivatives, process for their preparation, herbicidal compositions and their use
  申请人：Nippon Kayaku Kabushiki Kaisha

  公开号：EP0104532A1

  公开（公告）日：1984-04-04

  Described are o-halobenzoic acid derivatives of the formula I wherein ω is wherein R4 is lower alkyl, X is oxygen or sulfur, and n is integer of 3 or 4; R1 is hydrogen or halogen; R2 is halogen; R3 is hydrogen or C1-C8-alkyl which may have lower alkoxy; processes for the production of said compounds, herbicidal compositions containing said compounds as effective components and a method for killing weeds using said compounds.

  所述的是式 I 的邻卤苯甲酸衍生物 其中 ω 是 其中R4为低级烷基，X为氧或硫，n为3或4的整数；R1为氢或卤素；R2为卤素；R3为氢或可能具有低级烷氧基的C1-C8-烷基；生产所述化合物的工艺，含有所述化合物作为有效成分的除草组合物，以及使用所述化合物杀死杂草的方法。
• A heterocyclic compound and its use as herbicide
  申请人：Nippon Kayaku Kabushiki Kaisha

  公开号：EP0104484A1

  公开（公告）日：1984-04-04

  A compound of the formula wherein Z is wherein R4 is lower alkyl, X and Y are oxygen or sulfur and n is an integer of 3 to 6, R1 is hydrogen or halogen, R2 is halogen and R3 is hydrogen or C, - Ce-alkyl which may have lower alkoxy; a herbicidal composition containing said compound as an effective component; a method for killing weeds using said compound; and processes for the production of said compound, are disclosed hereinafter.

  式中的化合物 其中 Z 是 其中 R4 是低级烷基，X 和 Y 是氧或硫，n 是 3 至 6 的整数，R1 是氢或卤素，R2 是卤素，R3 是氢或 C，-C-烷基，其中可能有低级烷氧基；含有所述化合物作为有效成分的除草组合物；使用所述化合物杀灭杂草的方法；以及生产所述化合物的工艺，均在下文中公开。