2,3-Dihydro-1-methyl-3-(phenylmethyl)-2-thioxo-6-(trifluoromethyl)-4(1H)-pyrimidinone | 507448-64-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2,3-Dihydro-1-methyl-3-(phenylmethyl)-2-thioxo-6-(trifluoromethyl)-4(1H)-pyrimidinone
• 英文别名: 2,3-Dihydro-1-methyl-3-(phenylmethyl)-2-thioxo-6-(trifluoromethyl)-4(1H)-pynmidinone；3-benzyl-1-methyl-2-sulfanylidene-6-(trifluoromethyl)pyrimidin-4-one
• CAS: 507448-64-8
• 化学式: C₁₃H₁₁F₃N₂OS
• 分子量: 300.304
• InChiKey: MKLHJSKRKSIAKR-UHFFFAOYSA-N

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：
  0.23
• 拓扑面积：
  55.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,3-Dihydro-1-methyl-3-(phenylmethyl)-2-thioxo-6-(trifluoromethyl)-4(1H)-pyrimidinone 在 三氯化铝 作用下， 以 间二甲苯 为溶剂， 生成 6-(trifluoromethyl)-2,3-dihydro-1-methyl-2-thioxopyrimidin-4(1H)-one
  参考文献：
  名称：

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

  摘要：

  描述了由一般结构（I）表示的取代芳基醚衍生化合物。X和Y彼此独立，并且由氢、卤素、氰基、硝基、（C1-4）烷基、（C1-4）卤代烷基或（C1-4）卤代氧基表示；Z为氧或硫；Q从Q1到Q6中选择；A为氧、硫或亚胺；R1为氢、（C1-4）烷基、（C1-4）卤代烷基或氨基，可以在单个分子中彼此独立；R2和R3彼此独立，并可以从氢、卤素、氰基、硝基、（C1-4）烷基、（C1-4）卤代烷基、（C2-6）烯基、（C2-6）卤代烯基和氨基的群中选择，这些基团可以选择性地被（C1-4）烷基或（C1-4）卤代烷基取代；Ar为取代或未取代的至少为五元或六元环的碳环或杂环芳香环。该环可以与另一个取代或未取代的五元或六元碳环或杂环环融合。当Q为Q5时，排除未取代或取代的苯基。还描述了制造这些化合物的过程以及含有这些化合物作为活性成分的农业适用组合物，这些组合物可用作除草剂，用于对不受欢迎的植物物种进行一般或选择性的前除草或后除草控制以及落叶剂。

  公开号：

  US06613718B2
• 作为产物：
  描述：

  3-methylamino-4,4,4-trifluorobut-2-enoic acid ethyl ester 、 异硫氰酸苯甲酯 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 2,3-Dihydro-1-methyl-3-(phenylmethyl)-2-thioxo-6-(trifluoromethyl)-4(1H)-pyrimidinone
  参考文献：
  名称：

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

  摘要：

  通过一般结构（I）表示的取代芳基醚衍生化合物已被描述。X和Y彼此独立，可表示为氢、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；R1为氢、（C1-4）烷基、（C1-4）卤代烷基或氨基，并且在单个分子中可以彼此独立；R2和R3彼此独立，可从氢、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，这些基团可以选择性地被（C1-4）烷基或（C1-4）卤代烷基取代；Ar为取代或未取代的至少为五元或六元环的碳环或杂环芳香环。该环可以与另一个取代或未取代的五元或六元碳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。还描述了制造这些化合物的过程以及含有这些化合物作为活性成分的农业适用组合物，这些组合物可用作除草剂，用于对不受欢迎的植物物种进行一般或选择性的前期或后期控制以及落叶剂。

  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.
• 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：US06613718B2

  公开（公告）日：2003-09-02

  Substituted aryl ether derived compounds represented by the 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 agriculturally 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.

  描述了由一般结构（I）表示的取代芳基醚衍生化合物。X和Y彼此独立，并且由氢、卤素、氰基、硝基、（C1-4）烷基、（C1-4）卤代烷基或（C1-4）卤代氧基表示；Z为氧或硫；Q从Q1到Q6中选择；A为氧、硫或亚胺；R1为氢、（C1-4）烷基、（C1-4）卤代烷基或氨基，可以在单个分子中彼此独立；R2和R3彼此独立，并可以从氢、卤素、氰基、硝基、（C1-4）烷基、（C1-4）卤代烷基、（C2-6）烯基、（C2-6）卤代烯基和氨基的群中选择，这些基团可以选择性地被（C1-4）烷基或（C1-4）卤代烷基取代；Ar为取代或未取代的至少为五元或六元环的碳环或杂环芳香环。该环可以与另一个取代或未取代的五元或六元碳环或杂环环融合。当Q为Q5时，排除未取代或取代的苯基。还描述了制造这些化合物的过程以及含有这些化合物作为活性成分的农业适用组合物，这些组合物可用作除草剂，用于对不受欢迎的植物物种进行一般或选择性的前除草或后除草控制以及落叶剂。