3-benzylsulfanyl-5,5-dimethyl-4,5-dihydro-isoxazole | 326828-96-0

• 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-benzylsulfanyl-5,5-dimethyl-4,5-dihydro-isoxazole
• 英文别名: 3-benzylthio-5,5-dimethyl-2-isoxazoline；Isoxazole, 4,5-dihydro-5,5-dimethyl-3-[(phenylmethyl)thio]-；3-benzylsulfanyl-5,5-dimethyl-4H-1,2-oxazole
• CAS: 326828-96-0
• 化学式: C₁₂H₁₅NOS
• 分子量: 221.323
• InChiKey: JCPGTXJOEHCHIO-UHFFFAOYSA-N

物化性质

• 沸点：
  307.6±35.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 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：
  3

反应信息

• 作为产物：
  描述：

  3-溴-5,5-二甲基-4,5-二羟基异恶唑 在 甲酸 、 sodium hydroxide 作用下， 以 水 为溶剂， 生成 3-benzylsulfanyl-5,5-dimethyl-4,5-dihydro-isoxazole
  参考文献：
  名称：

  一种含硫基二氢异恶唑类化合物及其合成方法

  摘要：

  本发明涉及一种含硫基二氢异恶唑类化合物及其合成方法，该化合物具有式(I)或式(II)所示结构。反应器中加入化合物(III)、碱、溶剂、化合物(IV)或(V)进行反应，反应时间为1‑3小时，待反应完成后，提纯，即得到目标化合物(I)或(II)。本发明在无过渡金属、无特殊试剂剂、水为溶剂的温和条件下、使用廉价的无机碱，使卤代烃化合物与硫氰基二氢异恶唑类化合物反应,实现C‑S键的高效构建，合成了一类含硫基二氢异恶唑类化合物。该策略普适性良好,各种官能团均能很好地耐受。

  公开号：

  CN113929637A

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。
• 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。
• 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。