2-[2-Chloro-5-[4-chloro-5-[(difluoromethyl)sulfinyl]-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-pyrimidine | 507448-73-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[2-Chloro-5-[4-chloro-5-[(difluoromethyl)sulfinyl]-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-pyrimidine
• 英文别名: 2-[2-chloro-5-[4-chloro-5-(difluoromethylsulfinyl)-1-methylpyrazol-3-yl]-4-fluorophenoxy]pyrimidine
• CAS: 507448-73-9
• 化学式: C₁₅H₉Cl₂F₃N₄O₂S
• 分子量: 437.229
• InChiKey: HSVZWSYDGVBIMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  89.1
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-[2-chloro-5-[4-chloro-5-[(difluoromethyl)thio]-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy] pyrimidine 在 间氯过氧苯甲酸 作用下， 以 氯仿 为溶剂， 生成 2-[2-Chloro-5-[4-chloro-5-[(difluoromethyl)sulfinyl]-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-pyrimidine
  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

• Novel IL-5 inhibiting 6-azauracil derivatives for marking and identifying receptors and imaging organs
  申请人：——

  公开号：US20040167333A1

  公开（公告）日：2004-08-26

  The present invention is concerned with the compounds of formula 1 the N-oxides, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, p and q are 0, 1, 2, 3 or 4 and q is also 5; X is O, S, NR 3 or a direct bond; R 1 is hydrogen, hydroxy, halo, optionally substituted amino, optionally substituted C 1-6 alkyl, C 1-6 alkyloxy, C 3-7 cycloalkyl or aryl; R 2 is aryl, Het 1 , C 3-7 cycloalkyl, optionally substituted C 1-6 alkyl; and if X is O, S or NR 3 , then R 2 may also be a carbonyl or thiocarbonyl linked substituent; R 3 is hydrogen or C 1-4 alkyl; R 4 and R 5 independently are optionally substituted C 1-6 alkyl, halo, hydroxy, mercapto, C 1-6 alkyloxy, C 1-6 alkylthio, C 1-6 alkylcarbonyloxy, aryl, cyano, nitro, Het 3 , R 6 or NR 7 R 8 ; R 6 is substituted sulfonyl or sulfinyl; R 7 and R 8 are hydrogen, optionally substituted C 1-4 alkyl, aryl, a carbonyl or thiocarbonyl linked substituent, C 3-7 cycloalkyl, Het 3 and R 6 ; R 9 and R 10 are each independently selected from hydrogen, optionally substituted C 1-4 alkyl, phenyl, a carbonyl or thiocarbonyl linked substituent, C 3-7 cycloalkyl, Het 3 and R 6 ; R 11 is hydroxy, mercapto, cyano, nitro, halo, trihalomethyl, C 1-4 alkyloxy, carboxyl, C 1-4 alkyloxycarbonyl, trihaloC 1-4 alkylsulfonyloxy, R 6 , NR 7 R 8 , C(═O)NR 7 R 8 , aryl, aryloxy, arylcarbonyl, C 3-7 cycloalkyl, C 3-7 cycloalkyloxy, phthalimide- 2 -yl, Het 3 and C(═O)Het 3 ; R 12 and R 13 are each independently selected from hydrogen, optionally substituted C 1-4 alkyl, phenyl, a carbonyl or thiocarbonyl linked substituent, C 3-7 cycloalkyl and R 6 ; aryl is optionally substituted phenyl; Het 1 , Het 2 and Het 3 are optionally substituted heterocycles; to processes for their preparation and compositions comprising them. It further relates to their use as a medicine.

  本发明涉及公式1的化合物，其N-氧化物，药学上可接受的加成盐和其立体化学异构体，其中p和q为0、1、2、3或4，q还为5；X为O、S、NR3或直接键；R1为氢、羟基、卤素、可选取代氨基、可选取代C1-6烷基、C1-6烷氧基、C3-7环烷基或芳基；R2为芳基、Het1、C3-7环烷基、可选取代的C1-6烷基；如果X为O、S或NR3，则R2还可以是与羰基或硫代羰基连接的取代基；R3为氢或C1-4烷基；R4和R5分别为可选取代的C1-6烷基、卤素、羟基、巯基、C1-6烷氧基、C1-6烷硫基、C1-6烷基羰酸酯、芳基、氰基、硝基、Het3、R6或NR7R8；R6为取代磺酰基或亚磺酰基；R7和R8为氢、可选取代的C1-4烷基、芳基、与羰基或硫代羰基连接的取代基、C3-7环烷基、Het3和R6；R9和R10分别选自氢、可选取代的C1-4烷基、苯基、与羰基或硫代羰基连接的取代基、C3-7环烷基、Het3和R6；R11为羟基、巯基、氰基、硝基、卤素、三卤甲基、C1-4烷氧基、羧基、C1-4烷氧羰基、三卤基C1-4烷基磺酰氧基、R6、NR7R8、C(═O)NR7R8、芳基、芳氧基、芳基羰基、C3-7环烷基、C3-7环烷氧基、邻苯二酰亚胺-2-基、Het3和C(═O)Het3；R12和R13分别选自氢、可选取代的C1-4烷基、苯基、与羰基或硫代羰基连接的取代基、C3-7环烷基和R6；芳基为可选取代的苯基；Het1、Het2和Het3为可选取代的杂环；以及它们的制备方法和包含它们的组合物。此外，本发明还涉及它们作为药物的用途。
• 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
• [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.