3-(ethylsulfonyl)-5,5-dimethyl-4,5-dihydro-1,2-oxazole | 447401-75-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 3-(ethylsulfonyl)-5,5-dimethyl-4,5-dihydro-1,2-oxazole
• 英文别名: 5,5-Dimethyl-3-ethylsulfonyl-2-isoxazoline；3-ethylsulfonyl-5,5-dimethyl-4H-1,2-oxazole
• CAS: 447401-75-4
• 化学式: C₇H₁₃NO₃S
• 分子量: 191.251
• InChiKey: NMZGFTTXPHXOQR-UHFFFAOYSA-N

物化性质

• 沸点：
  262.3±23.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  64.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(ethylsulfonyl)-5,5-dimethyl-4,5-dihydro-1,2-oxazole 在 氢溴酸 、 potassium carbonate 、 溶剂黄146 、 sodium hydroxide 作用下， 以 甲醇 、 乙醇 、 水 、 乙腈 为溶剂， 反应 5.5h， 生成 3-({[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}sulfanyl)-5,5-dimethyl-4,5-dihydro-1,2-oxazole
  参考文献：
  名称：

  [EN] A PROCESS FOR PREPARATION OF 3-[5-(DIFLUOROMETHOXY)-1- METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4- YLMETHYLSULFONYL]-4,5-DIHYDRO-5,5-DIMETHYL-1,2-OXAZOLE AND ITS INTERMEDIATES
  [FR] PROCÉDÉ DE PRÉPARATION DE 3-[5-(DIFLUOROMÉTHOXY)-1-MÉTHYL-3-(TRIFLUOROMÉTHYL)PYRAZOL-4-YLMÉTHYLSULFONYL]-4,5-DIHYDRO-5,5-DIMÉTHYL-1,2-OXAZOLE ET DE SES INTERMÉDIAIRES

  摘要：

  The present invention relates to a process for preparation of 3-[5- (difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-ylmethylsulfonyl]-4,5- dihydro-5,5-dimethyl-1,2-oxazole and its intermediates. The present invention provides a process for preparation of 3-({[5-fluoro-1-methyl-3-(trifluoromethyl)- 1H-pyrazol-4-yl]methyl}sulfanyl)-5,5-dimethyl-4,5-dihydro-1,2-oxazole and 3- ({[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4- yl]methyl}sulfanyl)-5,5-dimethyl-4,5-dihydro-1,2-oxazole in the absence of N,N- dimethyl formamide.

  公开号：

  WO2023194957A1
• 作为产物：
  描述：

  3-(ethylthio)-5,5-dimethyl-4,5-dihydroisoxazole 在 间氯过氧苯甲酸 作用下， 以 氯仿 为溶剂， 反应 13.0h， 以65.4%的产率得到3-(ethylsulfonyl)-5,5-dimethyl-4,5-dihydro-1,2-oxazole
  参考文献：
  名称：

  Herbicide compositions

  摘要：

  一种除草剂组合物，包括i) 由以下通用式（I）或其盐表示的异氧唑啉衍生物和ii) 至少一种选择自A组的化合物：式（I）其中R1、R2、R3、R4、R5和R6在规范中定义。

  公开号：

  US20050256004A1

文献信息

• Herbicide compositions
  申请人：Takahashi Satoru

  公开号：US20050256004A1

  公开（公告）日：2005-11-17

  A herbicidal composition which comprises i) an isoxazoline derivative represented by the following general formula (I) or its salt and ii) at least one compound selected from the Group A: Formula (I) wherein R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are defined in the specification.

  一种除草剂组合物，包括i) 由以下通用式（I）或其盐表示的异氧唑啉衍生物和ii) 至少一种选择自A组的化合物：式（I）其中R1、R2、R3、R4、R5和R6在规范中定义。
• Isoxazoline derivative and herbicide comprising the same as active ingredient
  申请人：——

  公开号：US20040110749A1

  公开（公告）日：2004-06-10

  An isoxazoline derivative represented by the following general formula [I]: 1 wherein R 1 and R 2 may be the same or different and are each an alkyl group; R 3 , R 4 , R 5 and R 6 are each a hydrogen atom; Y is an optionally substituted 5- to 6-membered aromatic heterocyclic group or fused aromatic heterocyclic group having a hetero atom selected from a nitrogen atom, a oxygen atom and a sulfur atom; and n is an integer: of 0 to 2. The isoxazoline derivative has an excellent herbicidal effect and an excellent selectivity between crop and weed.

  下列一般式（I）所代表的异氧化异噁唑衍生物：其中R1和R2可以相同或不同，且均为烷基；R3、R4、R5和R6均为氢原子；Y为可选取的5-至6-成员芳香杂环基或融合芳香杂环基，其具有从氮原子、氧原子和硫原子中选取的杂原子；n是一个整数，范围为0至2。该异氧化异噁唑衍生物具有优异的除草效果和优异的作物与杂草选择性。
• Pyrazole derivatives and process for the production thereof
  申请人：Nakatani Masao

  公开号：US20050215797A1

  公开（公告）日：2005-09-29

  The present invention provides pyrazole derivatives useful as production intermediates for isoxazoline derivatives having an excellent herbicidal effect and selectivity between crops and weeds as well as processes for producing the same. The pyrazole derivatives or pharmaceutically acceptable salts thereof which are inventive compounds are represented by the general formula [I] or a salt thereof: wherein R 1 represents a C1 to C6 alkyl group, R 2 represents a C1 to C3 haloalkyl group, R 3 represents a hydrogen atom, a C1 to C3 alkyl group which may be substituted with one or more substituents selected from the following substituent group α, or a formyl group, R 4 represents a hydrogen atom or a C1 to C3 haloalkyl group, provided that R 4 represents a C1 to C3 haloalkyl group in the case that R 3 is a hydrogen or a formyl group, and R 4 is a hydrogen group or a C1 to C3 haloalkyl group in the case that R 3 is a C1 to C3 alkyl group which may be substituted with one or more substituents selected from the following substituent group α.

  本发明提供了吡唑衍生物，用作制备具有优异除草效果和作物与杂草之间选择性的异恶唑衍生物的生产中间体，以及制备它们的方法。发明化合物为吡唑衍生物或其药学上可接受的盐，其由通式[I]或其盐表示：其中，R1代表C1至C6烷基，R2代表C1至C3卤代烷基，R3代表氢原子，C1至C3烷基，其可以被以下取代基α中的一个或多个取代基取代，或者甲酰基，R4代表氢原子或C1至C3卤代烷基，前提是当R3为氢或甲酰基时，R4代表C1至C3卤代烷基，在R3为C1至C3烷基且可以被以下取代基α中的一个或多个取代基取代时，R4代表氢原子或C1至C3卤代烷基。
• ISOXAZOLINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT
  申请人：KUMIAI CHEMICAL INDUSTRY CO., LTD.

  公开号：EP1364946B1

  公开（公告）日：2010-11-24
• PYRAZOLE DERIVATIVES AND PROCESS FOR THE PRODUCTION THEREOF
  申请人：IHARA CHEMICAL INDUSTRY CO., LTD.

  公开号：EP1541561B1

  公开（公告）日：2014-07-23