3-(2,6-difluoro-phenylmethanesulfanyl)-5,5-dimethyl-4,5-dihydroisoxazole | 326829-04-3

• 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: 3-(2,6-difluoro-phenylmethanesulfanyl)-5,5-dimethyl-4,5-dihydroisoxazole
• 英文别名: 3-[(2,6-Difluorobenzyl)sulfanyl]-5,5-dimethyl-4,5-dihydroisoxazole；3-(2,6-difluorobenzylthio)-5,5-dimethyl-2-isoxazoline；Isoxazole, 3-[[(2,6-difluorophenyl)methyl]thio]-4,5-dihydro-5,5-dimethyl-；3-[(2,6-difluorophenyl)methylsulfanyl]-5,5-dimethyl-4H-1,2-oxazole
• CAS: 326829-04-3
• 化学式: C₁₂H₁₃F₂NOS
• 分子量: 257.304
• InChiKey: LNPQBZAHOUCTSB-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：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  46.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(2,6-difluoro-phenylmethanesulfanyl)-5,5-dimethyl-4,5-dihydroisoxazole 在 间氯过氧苯甲酸 作用下， 以 氯仿 为溶剂， 生成 3-(2,6-difluoro-phenylmethanesulfonyl)-5,5-dimethyl-4,5-dihydro-isoxazole
  参考文献：
  名称：

  ISOXAZOLINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT

  摘要：

  公开号：

  EP1203768B1
• 作为产物：
  描述：

  5,5-dimethyl-3-(methyl-sulfonyl)-4,5-dihydroisoxazole 、 2,6-二氟苄醇 在 盐酸 、 硫脲 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 0.5h， 以26%的产率得到3-(2,6-difluoro-phenylmethanesulfanyl)-5,5-dimethyl-4,5-dihydroisoxazole
  参考文献：
  名称：

  [EN] ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES
  [FR] DÉRIVÉS D'ISOXAZOLINE ET LEUR UTILISATION COMME HERBICIDES

  摘要：

  式(I)中的化合物，其中取代基如权利要求1所定义，适用作为除草剂。还声明了一种制备式I的化合物的方法，其中m为2，n为1，其他取代基如权利要求1所定义，通过将式Ia的化合物与式R5-X和/或R6-X的化合物在单步或连续逐步反应，其中R5和R6如权利要求1所定义，X为脱离基，制备式(Ia)的方法，并声明了一种制备式I的化合物的方法，其中R6为C1-C10烷基或卤素，m为2，n为1，其他取代基如权利要求1所定义，通过将式1b的化合物与式R5-X的化合物反应，其中R5如权利要求1所定义，X为脱离基，制备式(Ib)的方法，并声明了一种制备式I的化合物的方法，其中R5为氯、溴或碘，m为1或2，n为1，其他取代基如权利要求1所定义，通过将式le的化合物与N-卤代琥珀酰亚胺和氧化剂反应，制备式(Ic)的方法。

  公开号：

  WO2006024820A1

文献信息

• [EN] ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES<br/>[FR] DERIVES D'ISOXAZOLINE ET LEUR UTILISATION COMME HERBICIDES
  申请人：SYNGENTA LTD

  公开号：WO2006037945A1

  公开（公告）日：2006-04-13

  Compounds of formula: (I) wherein the substituents are as defined in claim 1, are suitable for use as herbicides. Also claimed are processes for the preparation of the claimed compounds, a herbicidal composition comprising the claimed compounds, and a method of controlling grasses and weeds using them.

  式(I)中的取代基如权利要求1所定义的化合物适用于作为除草剂使用。还声明了制备所述化合物的方法，包括所述化合物的除草组合物，以及利用它们控制草和杂草的方法。
• Isoxazoline derivatives and herbicides containing the same as the active ingredient
  申请人：Nakatani Masao

  公开号：US06841519B1

  公开（公告）日：2005-01-11

  The isoxazoline derivative of the present invention is represented by the following general formula [I]: [wherein Q is a group represented by —S(O) n —(CR 5 R 6 ) m - (wherein n is an integer of 0 to 2, m is an integer of 1 to 3, and R 5 and R 6 are a hydrogen atom, a cyano group, an alkoxycarbonyl group, if an alkyl group or the like); R 1 and R 2 are a hydrogen atom, all optionally substituted alkyl group, an alkoxycarbonyl group, an optionally substituted phenyl group or the like; R 3 and R 4 are a hydrogen atom, an optionally substituted alkyl group, a cycloalkyl group or the like; Y is a hydrogen atom, an alkoxycarbonyl group, a carboxyl group, an alkenyl group, an optionally substituted alkyl group or an optionally substituted phenyl group]. The herbicide of the present invention contains the above isoxazoline derivative as the active ingredient.

  本发明的异噁唑啉衍生物由下列一般式[I]表示：[其中，Q是由—S(O)n—(CR5R6)m-表示的基团（其中，n为0至2的整数，m为1至3的整数，R5和R6为氢原子、氰基、烷氧羰基基团、烷基或类似基团）；R1和R2为氢原子、任选取代的烷基基团、烷氧羰基基团、任选取代的苯基或类似基团；R3和R4为氢原子、任选取代的烷基基团、环烷基或类似基团；Y为氢原子、烷氧羰基基团、羧基、烯基、任选取代的烷基或任选取代的苯基]。本发明的除草剂含有上述异噁唑啉衍生物作为活性成分。
• 3-[1-halo-1-arylmethanesulfonyl]- and 3-[1-halo-1-heteroarylmethanesulfonyl]- isoxazoline derivatives, processes for preparing them, and use as herbicides and plant growth regulators
  申请人：Helmke Hendrik

  公开号：US20070161513A1

  公开（公告）日：2007-07-12

  3-[1-Halo-1-arylmethanesulfonyl]- and 3-[ 1 -halo-1-heteroarylmethanesulfonyl]-isoxazoline derivatives, processes for preparing them, and use as herbicides and plant growth regulators The present invention provides compounds of the formula (I) and salts thereof, processes for preparing them, and their use as herbicides and plant growth regulators, particularly as herbicides for selectively controlling weed plants in crops of useful plants.

  本发明提供了式（I）的化合物及其盐，制备它们的方法，以及它们作为除草剂和植物生长调节剂的用途，特别是作为用于有用植物作物中选择性控制杂草植物的除草剂。其中，化合物为3-[1-卤代-1-芳基甲烷磺酰基]-和3-[1-卤代-1-杂环芳基甲烷磺酰基]-异噁唑衍生物。
• Isoxazoline Derivatives and Their Use as Herbicides
  申请人：Plant Andrew

  公开号：US20080139390A1

  公开（公告）日：2008-06-12

  Compounds of formula (I) wherein the substituents are as defined in claim 1 , are suitable for use as herbicides. Also claimed is a process for the preparation of compounds of the formula I, wherein m is 2 and n is 1, and the other substituents are defined as in claim 1 , formula (Ia) by reacting a compound of the formula Ia in a single step or stepwise in succession with compounds of the formula R 5 —X and/or R 6 —X, wherein R 5 and R 6 are as defined in claim 1 , and X is a leaving group, and a process for the preparation of compounds of the formula I, wherein R 6 is C 1 -C 10 alkyl or halogen, m is 2 and n is 1, and the other substituents are defined as in claim 1 , formula (Ib) by reacting a compound of the formula Ib with a compound of the formula R 5 —X, wherein R 5 is as defined in claim 1 , and X is a leaving group, and a process for the preparation of compounds of the formula I, wherein R 5 is chlorine, bromine or iodine, m is 1 or 2, and n is 1, and the other substituents are defined as in claim 1 , formula (Ic) by reacting a compound of the formula 1e with an N-halosuccinimide and an oxidising agent.

  式(I)的化合物中，取代基的定义如权利要求1所述，适用于用作除草剂。此外，还声明了一种制备式(I)化合物的方法，其中m为2，n为1，其他取代基的定义如权利要求1所述，式(Ia)，通过将式(Ia)的化合物与式R5—X和/或式R6—X的化合物进行单步或连续逐步反应，其中R5和R6的定义如权利要求1所述，X是离去基团；以及一种制备式(I)化合物的方法，其中R6是C1-C10烷基或卤素，m为2，n为1，其他取代基的定义如权利要求1所述，式(Ib)，通过将式(Ib)的化合物与式R5—X的化合物反应，其中R5的定义如权利要求1所述，X是离去基团；以及一种制备式(I)化合物的方法，其中R5是氯，溴或碘，m为1或2，n为1，其他取代基的定义如权利要求1所述，式(Ic)，通过将式1e的化合物与N-卤代琥珀酰亚胺和氧化剂反应。
• Isoxazoline derivatives and their use as herbicides
  申请人：Plant Andrew

  公开号：US08680290B2

  公开（公告）日：2014-03-25

  Compounds of formula (I) wherein the substituents are as defined in claim 1, are suitable for use as herbicides. Also claimed is a process for the preparation of compounds of the formula I, wherein m is 2 and n is 1, and the other substituents are defined as in claim 1, formula (Ia) by reacting a compound of the formula Ia in a single step or stepwise in succession with compounds of the formula R5—X and/or R6—X, wherein R5 and R6 are as defined in claim 1, and X is a leaving group, and a process for the preparation of compounds of the formula I, wherein R6 is C1-C10alkyl or halogen, m is 2 and n is 1, and the other substituents are defined as in claim 1, formula (Ib) by reacting a compound of the formula Ib with a compound of the formula R5—X, wherein R5 is as defined in claim 1, and X is a leaving group, and a process for the preparation of compounds of the formula I, wherein R5 is chlorine, bromine or iodine, m is 1 or 2, and n is 1, and the other substituents are defined as in claim 1, formula (Ic) by reacting a compound of the formula 1e with an N-halosuccinimide and an oxidising agent.

  式(I)的化合物适用于作为除草剂，其中取代基的定义如权利要求1所述。还声明了一种制备式(Ia)化合物的方法，其中m为2，n为1，其他取代基的定义如权利要求1所述，通过将式(Ia)化合物与式R5-X和/或R6-X的化合物进行单步或连续步骤反应来制备。其中R5和R6的定义如权利要求1所述，X是离去基团。还声明了一种制备式(Ib)化合物的方法，其中R6为C1-C10烷基或卤素，m为2，n为1，其他取代基的定义如权利要求1所述，通过将式Ib化合物与式R5-X的化合物反应来制备。其中R5的定义如权利要求1所述，X是离去基团。还声明了一种制备式(Ic)化合物的方法，其中R5为氯，溴或碘，m为1或2，n为1，其他取代基的定义如权利要求1所述，通过将式1e化合物与N-卤代琥珀酰亚胺和氧化剂反应来制备。