methyl 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy benzoate | 126765-48-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy benzoate
• 英文别名: Methyl 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]benzoate
• CAS: 126765-48-8
• 化学式: C₁₂H₁₀ClN₃O₄
• 分子量: 295.682
• InChiKey: JUHURNCJCLIWEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  83.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy benzoate 以 乙酸乙酯 、 丙酮 为溶剂， 生成 Methyl 2-(4-dimethylamino-6-methoxy-1,3,5-triazin-2-yl)oxy benzoate
  参考文献：
  名称：

  Triazine herbicides

  摘要：

  通式I的三嗪类除草剂，其中R1和R2分别独立地表示氢或卤素原子，或者是可选取代的烷基、烯基、炔基、环烷基、烷氧基、烯氧基、炔氧基、芳氧基、烷硫基、烯硫基、炔硫基、芳硫基或氨基，或者是甲酰基、可选取代的烷基羰基、氰基、羧基、可选取代的烷氧基羰基、二烷基氧基、二烷基亚氨基氧基或偶氮基；X表示氧或硫原子或者是基团--SO2--、--SO--或--NR4--，其中R4表示氢原子或可选取代的烷基；n为1到4的整数；Y表示氢原子或者每个Y独立地表示卤素原子、羟基或可选取代的烷基、烯基、炔基、芳基烷氧基、烯氧基、炔氧基、芳氧基、杂环基氧基、烷硫基、烯硫基、炔硫基、芳硫基或氨基，或者是甲酰基、可选取代的烷基羰基、氰基或硝基，或者当n至少为2时，两个Y基团可以连接形成螺环饱和或不饱和的碳环或杂环；Z表示羟基烷基、羟基苄基、或单、双或三烷氧基烷基基团，基团--CH=NOH，或者是可选酯化的羧基烷基基团，或者是基团COR3，其中R3表示氢或卤素原子、羟基或可选取代的烷基、芳基、烯基、炔基、烷氧基、烯氧基、炔氧基、环烷基氧基、芳氧基、二烷基氨基氧基、二烷基亚氨基氧基、氨基、烷硫基、芳硫基、烯硫基或炔硫基基团，或者R3表示基团--OR5，其中R5表示可选取代的杂环环基；或者是式I通式化合物的羧酸盐，与等量的无机或有机阳离子一起，以及至少一种载体。

  公开号：

  US05062882A1
• 作为产物：
  描述：

  2,4-二氯-6-甲氧基-1,3,5-三嗪 、 水杨酸甲酯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 methyl 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy benzoate
  参考文献：
  名称：

  Dimethoxypyrimidines as Novel Herbicides. Part 2. Synthesis and Herbicidal Activity ofO-Pyrimidinylsalicylates and Analogues

  摘要：

  A new series of the O-pyrimidinylsalicylates was synthesized and their herbicidal activity was examined. Some of these compounds showed very strong herbicidal activity under pre- and post-emergent treatment conditions against various kinds of grass and broadleaf weeds. Among these compounds, O-(4, 6-dimethoxypyrimidin-2-yl) salicylic acid and its methyl ester were found to exhibit the highest activity. The herbicidal symptoms observed after the treatments included early cessation of plant growth followed by chlorosis, necrosis and plant death. The symptoms were similar to those caused by sulfonylureas and imidazolinones, which inhibit branched-chain amino acid biosynthesis.

  DOI：

  10.1002/(sici)1096-9063(199606)47:2<115::aid-ps397>3.0.co;2-r

文献信息

• US5062882A
  申请人：——

  公开号：US5062882A

  公开（公告）日：1991-11-05
• Dimethoxypyrimidines as Novel Herbicides. Part 2. Synthesis and Herbicidal Activity of<i>O</i>-Pyrimidinylsalicylates and Analogues
  作者：Yukio Nezu、Masahiro Miyazaki、Kazuhiko Sugiyama、Nobuhide Wada、Ikuo Kajiwara、Takeshige Miyazawa

  DOI：10.1002/(sici)1096-9063(199606)47:2<115::aid-ps397>3.0.co;2-r

  日期：1996.6

  A new series of the O-pyrimidinylsalicylates was synthesized and their herbicidal activity was examined. Some of these compounds showed very strong herbicidal activity under pre- and post-emergent treatment conditions against various kinds of grass and broadleaf weeds. Among these compounds, O-(4, 6-dimethoxypyrimidin-2-yl) salicylic acid and its methyl ester were found to exhibit the highest activity. The herbicidal symptoms observed after the treatments included early cessation of plant growth followed by chlorosis, necrosis and plant death. The symptoms were similar to those caused by sulfonylureas and imidazolinones, which inhibit branched-chain amino acid biosynthesis.
• Triazine herbicides
  申请人：Shell International Research Maatschappij B. V.

  公开号：US05062882A1

  公开（公告）日：1991-11-05

  Triazine herbicides of the general formula I ##STR1## wherein R.sup.1 and R.sup.2 each independently represent a hydrogen or halogen atom, or an optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, alkoxy, alkenyloxy, alkynyloxy, aryloxy, alkylthio, alkenylthio, alkynylthio, arylthio or amino group, or a formyl, optionally substituted alkylcarbonyl, cyano, carboxy, optionally substituted alkoxycarbonyl, dialkylaminoxy, dialkyliminoxy or azido group; X represents an oxygen or sulphur atom or a group --SO.sub.2 --, --SO--, or --NR.sup.4 --where R.sup.4 represents a hydrogen atom or an optionally substituted alkyl group; n is an integer from 1 to 4; Y represents a hydrogen atom or the or each Y each independently represents a halogen atom, a hydroxy group or an optionally substituted alkyl, alkenyl, alkynyl, aryl alkoxy, alkenyloxy, alkynyloxy, aryloxy, heterocyclyloxy, alkylthio, alkenylthio, alkynylthio, arylthio or amino group, or a formyl, optionally substituted alkylcarbonyl, cyano or nitro group, or, when n is at least 2, two groups Y may be linked to form a fused saturated or unsaturated carbocyclic or heterocyclic ring; and Z represents a hydroxyalkyl, hydroxybenzyl, or mono--, di--or trialkoxyalkyl group, a group --CH.dbd.NOH, or an optionally esterified carboxyalkyl group, or a group COR.sup.3 where R.sup.3 represents a hydrogen or halogen atom, or a hydroxy group, or an optionally substituted alkyl, aryl, alkenyl, alkynyl, alkoxy, alkenyloxy, alkynyloxy, cycloalkyloxy, aryloxy, dialkylaminoxy, dialkyliminoxy, amino, alkylthio, arylthio, alkenylthio or alkynylthio group, or R.sup.3 represents a group --OR.sup.5 where R.sup.5 represents an optionally substituted heterocyclic ring; or a carboxylic acid salt of a compound of general formula I with an equivalent amount of an inorganic or organic cation, together with at least one carrier.

  通式I的三嗪类除草剂，其中R1和R2分别独立地表示氢或卤素原子，或者是可选取代的烷基、烯基、炔基、环烷基、烷氧基、烯氧基、炔氧基、芳氧基、烷硫基、烯硫基、炔硫基、芳硫基或氨基，或者是甲酰基、可选取代的烷基羰基、氰基、羧基、可选取代的烷氧基羰基、二烷基氧基、二烷基亚氨基氧基或偶氮基；X表示氧或硫原子或者是基团--SO2--、--SO--或--NR4--，其中R4表示氢原子或可选取代的烷基；n为1到4的整数；Y表示氢原子或者每个Y独立地表示卤素原子、羟基或可选取代的烷基、烯基、炔基、芳基烷氧基、烯氧基、炔氧基、芳氧基、杂环基氧基、烷硫基、烯硫基、炔硫基、芳硫基或氨基，或者是甲酰基、可选取代的烷基羰基、氰基或硝基，或者当n至少为2时，两个Y基团可以连接形成螺环饱和或不饱和的碳环或杂环；Z表示羟基烷基、羟基苄基、或单、双或三烷氧基烷基基团，基团--CH=NOH，或者是可选酯化的羧基烷基基团，或者是基团COR3，其中R3表示氢或卤素原子、羟基或可选取代的烷基、芳基、烯基、炔基、烷氧基、烯氧基、炔氧基、环烷基氧基、芳氧基、二烷基氨基氧基、二烷基亚氨基氧基、氨基、烷硫基、芳硫基、烯硫基或炔硫基基团，或者R3表示基团--OR5，其中R5表示可选取代的杂环环基；或者是式I通式化合物的羧酸盐，与等量的无机或有机阳离子一起，以及至少一种载体。