6-(4-chloro-2-fluoro-5-methoxy-phenyl)-2,4-dimethyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine | 507448-69-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 6-(4-chloro-2-fluoro-5-methoxy-phenyl)-2,4-dimethyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine
• 英文别名: 6-(4-chloro-2-fluoro-5-methoxyphenyl)-2,4-dimethyl-3-sulfanylidene-1,2,4-triazin-5-one
• CAS: 507448-69-3
• 化学式: C₁₂H₁₁ClFN₃O₂S
• 分子量: 315.756
• InChiKey: NTIVAIBDPIJLNK-UHFFFAOYSA-N

物化性质

• 沸点：
  392.8±52.0 °C(Predicted)
• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  77.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(4-chloro-2-fluoro-5-methoxyphenyl)-2-oxoacetic acid 、 2,4-二甲基氨基硫脲 以 甲醇 为溶剂， 反应 16.0h， 以afforded 6-(4-chloro-2-fluoro-5-methoxy-phenyl)-2,4-dimethyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine (0.28 g)的产率得到6-(4-chloro-2-fluoro-5-methoxy-phenyl)-2,4-dimethyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine
  参考文献：
  名称：

  Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them

  摘要：

  该文描述了由一般结构（I）表示的取代芳基醚衍生化合物。其中X和Y彼此独立，可以表示为氢，卤素，氰基，硝基，（C1-4）烷基，（C1-4）卤代烷基或（C1-4）卤代氧基；Z为氧或硫，Q从Q1到Q6中选择；A为氧，硫或亚胺基；R1为氢，（C1-4）烷基，（C1-4）卤代烷基或氨基，并且可以在单个分子中相互独立；R2和R3互相独立，可以从氢，卤素，氰基，硝基，（C1-4）烷基，（C1-4）卤代烷基，（C2-4）烯基，（C2-6）卤代烯基和氨基中选择，其中可以选择地被（C1-4）烷基或（C1-4）卤代烷基取代；Ar为取代或未取代的碳环芳香环或杂环芳香环，至少为五元或六元环。该环可以与另一个取代或未取代的五元或六元碳环芳香环或杂环芳香环融合。当Q为Q5时，排除未取代或取代的苯基。此外，还描述了制造这些化合物的过程和含有这些化合物作为活性成分的适用于农业的组合物，这些组合物可用作除草剂，用于控制不需要的植物物种的一般或选择性的前期或后期的控制以及落叶剂。

  公开号：

  US20040267014A1

文献信息

• ARYL ETHER DERIVATIVES AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：EP1432692A1

  公开（公告）日：2004-06-30
• US6613718B2
  申请人：——

  公开号：US6613718B2

  公开（公告）日：2003-09-02
• US6927193B2
  申请人：——

  公开号：US6927193B2

  公开（公告）日：2005-08-09
• [EN] ARYL ETHER DERIVATIVES AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM<br/>[FR] DERIVES D'ARYLETHER, LEURS PROCEDES DE PREPARATION, ET COMPOSITIONS HERBICIDES ET DESHYDRATANTES LES CONTENANT
  申请人：ISHIHARA SANGYO KAISHA

  公开号：WO2003029225A1

  公开（公告）日：2003-04-10

  Substituted aryl ether derived compounds represented by general structure (I) are described. X and Y are independent of each other and are represented by hydrogen, halogen, cyano, nitro, (C1-4)alkyl, (C1-4)haloalkyl, or (C1-4)haloalkoxy; Z is oxygen or sulfur; Q is selected form Q1 to Q6; A is oxygen, sulfur, or imino; R1 is hydrogen, (C1-4)alkyl, (C1-4)haloalkyl, or amino and can be independent of each other in a single molecule;R2 and R3 are independent of each other and may be selected from the group consisting of hydrogen, halogen, cyano nitro, (C1-4)alkyl, (C1-4)haloalkyl, (C2-6)alkenyl, (C2-6)haloalkenyl and amino which may be optionally substituted with (C1-4)alkyl or (C1-4)haloalkyl; Ar is substituted or unsubstituted carbocyclic or heterocyclic aromatic ring being at least a five or six membered ring. This ring can be fused with another substituted or unsubstituted five or six membered carbocyclic or heterocyclic ring. When Q is Q5, unsubstituted or substituted phenyl is excluded. Also described are the processes for the manufacture of these compounds and argiculturally suitable compositions containing these as active ingredients which are useful as herbicides for general or selective pre-emergent or post-emergent control of undesired plant species and defoliants.