2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy benzoic acid | 113761-80-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy benzoic acid
• 英文别名: 6-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid；2-Chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
• CAS: 113761-80-1
• 化学式: C₁₃H₁₁ClN₂O₅
• 分子量: 310.694
• InChiKey: LJSAQLRCMQXRTJ-UHFFFAOYSA-N

物化性质

• 熔点：
  123-126 °C
• 沸点：
  518.7±60.0 °C(Predicted)
• 密度：
  1.418±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  90.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy benzoic acid 生成 Methylthiomethyl 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy benzoate
  参考文献：
  名称：

  SAJTO, JOSIXIRO;TAKEHXI, TAKAESI;KUSANO, AKITSUGU;TOEKAVA, YASUFUMI;MIYAD+

  摘要：

  DOI：
• 作为产物：
  描述：

  甲醇 、 benzyl 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy benzoate 在 Pd-C 溶剂黄146 作用下， 以 乙酸乙酯 为溶剂， 生成 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy benzoic acid
  参考文献：
  名称：

  2-Phenoxypyimidine derivative and herbicidal composition

  摘要：

  一种2-苯氧基嘧啶衍生物，其具有如下式：##STR1## 其中R1为甲酰基、二甲氧基甲基或--COOR4（其中R4为氢原子、低级烷基、苄基、碱金属原子、碱土金属原子或有机铵基团），R2为氯原子、甲基、甲氧基或二氟甲氧基，R3为甲基或甲氧基，X为卤素原子、低级烷基、低级烷氧基、氨基、羟基、硝基或氰基，n为1或2。

  公开号：

  US04900352A1

文献信息

• Novel 6-chloro-2-(4,6-dimethoxypyrimidin-2-yl) oxybenzoic acid ester derivatives, processes for their production an a method for their application as herbicides
  申请人：LUCKY LTD.

  公开号：EP0608862A1

  公开（公告）日：1994-08-03

  The present invention relates to novel 6-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid iminoester derivative of the general formula(I); processes for their preparation and a method for their application as herbicides:    Therein, Q represents a straight or branched alkyl, alkenyl or cycloalkyl group having from 1 to 10 carbon atoms, preferably from 1 to 8 carbon atoms, which may be substituted with a (C₁-C₄)alkoxy or (C₁-C₄)alkylthio group; a (C₁-C₄)alkyl or (C₂-C₄)alkenylthio group; a phenylthio group; a phenyl(C₁-C₄)alkyl or phenyl(C₂-C₄)alkenylthio group; or a radical of the following formula:    [wherein R¹ and R² are same or different each other and represent hydrogen or a halogen atom; or a group selected from the groups which comprised with a (C₁-C₄)alkyl, a (C₂-C₄)alkenyl, an acyl, an acyloxy, a (C₁-C₄)alkylthio, a nitro, a cyano, a phenyl and a phenoxy group, and which, if necessary, may be substituted with a halogen atom, a (C₁-C₄)alkyl, a (C₁-C₄)alkoxy or an acetal group; or R¹ and R² may constitute an acetal structure with carbon atoms to which R1 and R² are linked.; and, n is 0 or 1.]; or a 5-6 membered ring system containing one or more hetero atoms such as oxygen, sulfur or nitrogen atom in the ring system, which may have one or more proper substituents such as a halogen atom, a (C₁-C₄)alkyl, a hydroxy, a nitro or a cyano group on its certain positions.; and,    R represents a hydrogen or a halogen atom, a cyano group, or -Z -R³ [wherein, R³ represents a (C₁-C₄)alkyl, an alkoxy or alkenyloxyl group having from 1 to 8 carbon atoms, or a phenyl, a phenoxy or an amino group, or 5-6 membered hetero or aromatic ring system connecting to Z through out a (C₁-C₂)alkyl or alkoxy bridge, such as a phenyl, a furyl, a thienyl, pyrrolyl or pyranyl group, and which may have one or more proper substituents such as a halogen atom, a (C₁-C₄)alkyl, a hydroxy, a nitro or a cyano group on its certain positions, or R³ may be cyclized with Z and Q in some cases.; and, Z represents -O-, -S-, [wherein, R⁴ is a hydrogen atom, a (C₁-C₄)alkyl or a phenyl group, or constitutes a cyclic system containing an oxygen atom with R³]].

  本发明涉及一种新型的一般式(I)的6-氯-2-(4,6-二甲氧基嘧啶-2-基)氧基苯甲酸亚氨酯衍生物；它们的制备方法以及作为除草剂的应用方法：其中，Q代表具有1至10个碳原子的直链或支链烷基、烯基或环烷基，最好为具有1至8个碳原子的烷基，可以用(C₁-C₄)烷氧基或(C₁-C₄)烷硫基取代；(C₁-C₄)烷基或(C₂-C₄)烯基硫基；苯硫基；苯(C₁-C₄)烷基或苯(C₂-C₄)烯基硫基；或以下式的基团：[其中R¹和R²相同或不同，分别代表氢或卤素原子；或从由(C₁-C₄)烷基、(C₂-C₄)烯基、酰基、酰氧基、(C₁-C₄)烷硫基、硝基、氰基、苯基和苯氧基组成的群中选取的一种群，必要时可以用卤素原子、(C₁-C₄)烷基、(C₁-C₄)烷氧基或缩醛基取代；或R¹和R²可以构成与R1和R²连接的碳原子的缩醛结构；n为0或1]；或在环系统中含有一个或多个杂原子（如氧、硫或氮原子）的5-6元环系统，可以在其特定位置上具有一个或多个适当的取代基，如卤素原子、(C₁-C₄)烷基、羟基、硝基或氰基；R代表氢或卤素原子、氰基，或-Z-R³；其中，R³代表具有1至8个碳原子的(C₁-C₄)烷基、烷氧基或烯氧基，或苯、苯氧基或氨基，或通过(C₁-C₂)烷基或烷氧基桥连接到Z的5-6元杂原子或芳香环系统，如苯基、呋喃基、噻吩基、吡咯基或吡喃基，并且可以在其特定位置上具有一个或多个适当的取代基，如卤素原子、(C₁-C₄)烷基、羟基、硝基或氰基；或在某些情况下，R³可以与Z和Q环化；Z代表-O-、-S-，其中R⁴为氢原子、(C₁-C₄)烷基或苯基，或构成含氧原子的环系统与R³结合。
• Pyrimidine derivatives
  申请人：Sumitomo Chemical Company, Limited

  公开号：US05125957A1

  公开（公告）日：1992-06-30

  A pyrimidine derivative represented by the formula ##STR1## wherein the variables are defined below in the specification, and their production and herbicidal activities are described.

  一种由下式表示的嘧啶衍生物##STR1##，其中变量在规范中有定义，并描述了它们的生产和除草活性。
• 2-Phenoxypyrimidine derivative and herbidical composition
  申请人：Kumiai Chemical Industry Co., Ltd.

  公开号：US04889552A1

  公开（公告）日：1989-12-26

  A 2-phenoxypyrimidine derivative having the formula: ##STR1## wherein R is a formyl group or --COOR.sup.1 wherein R.sup.1 is a hydrogen atom, a lower alkyl group, a 2-methylsulfonylethyl group, a diethoxypropyl group, a lower alkenyl group, a lower alkynyl group, a haloalkyl group, a haloalkenyl group, an alkoxyalkyl group, a hydroxyalkyl group, a cycloalkyl group, a phenyl group or ##STR2## wherein Y is a halogen atom, a methyl group or a methoxy group and n is 0, 1 or 2; and X is a halogen atom, an alkynyloxy group, an alkenyloxy group, an alkylthio group, an alkoxyalkyloxy group, a haloalkoxy group, an acetyloxy group, a benzoyloxy group, a formyl group, a trifluoromethyl group, a carboxyl group, an alkoxycarbonyl group, a dialkylamino group, a dimethoxymethyl group, ##STR3## wherein R.sup.2 is a hydrogen atom or a methyl group, Z is a chlorine atom or an alkyl group and m is 0, 1 or 2, or ##STR4## wherein R.sup.3 is an alkyl group or a phenyl group, or X forms a methylenedioxy group attached to the adjacent carbon atoms, provided that when X is a halogen atom, it is located at the 6-position of the phenyl group and R is --COOR.sup.1 wherein R.sup.1 is a lower alkenyl group, a lower alkynyl group, a haloalkyl group, a haloalkenyl group, an alkoxyalkyl group, a hydroxyalkyl group, a cycloalkyl group, a phenyl group or ##STR5## wherein Y is a halogen atom, a methyl group or a methoxy group and n is 1 or 2.

  一种具有以下结构式的2-苯氧基嘧啶衍生物：##STR1## 其中R是一个甲酰基或--COOR.sup.1，其中R.sup.1是氢原子、较低的烷基、2-甲基磺酰乙基、双乙氧基丙基、较低的烯基、较低的炔基、卤代烷基、卤代烯基、烷氧基烷基、羟基烷基、环烷基、苯基或##STR2## 其中Y是卤素原子、甲基或甲氧基，n为0、1或2；X是卤素原子、炔氧基、烯氧基、烷硫基、烷氧基烷氧基、卤代烷氧基、乙酰氧基、苯甲酰氧基、甲酰基、三氟甲基、羧基、烷氧羰基、二烷基氨基、二甲氧基甲基、##STR3## 其中R.sup.2是氢原子或甲基，Z是氯原子或烷基，m为0、1或2，或##STR4## 其中R.sup.3是烷基或苯基，或X形成附加在相邻碳原子上的亚甲基二氧基基团，但当X是卤素原子时，它位于苯基的6位，并且R是--COOR.sup.1，其中R.sup.1是较低的烯基、较低的炔基、卤代烷基、卤代烯基、烷氧基烷基、羟基烷基、环烷基、苯基或##STR5## 其中Y是卤素原子、甲基或甲氧基，n为1或2。
• 2-phenoxypyrimidine derivative and herbicidal composition
  申请人：Kumiai Chemical Industry Co., Ltd.

  公开号：US04946495A1

  公开（公告）日：1990-08-07

  A 2-phenoxypyrimidine derivative having the formula: ##STR1## wherein X is a halogen atom or ##STR2## wherein X.sup.1 is a halogen atom, a lower alkyl group or a lower alkoxy group and k is 0, 1 or 2; R.sup.1 is a hydrogen atom, a benzyl group, --(CH.sub.2).sub.m R.sup.3 wherein R.sup.3 is a cyano group, a formyl group, a dialkylamino group, a phenyl group, a pyridyl group, a trimethylsilyl group, a naphthyl group, an alkoxycarbonyl group, a benzoyl group, an alkylthio group, a phenylthio group, an alkylsulfonyl group or a benzyloxy group and m is 1, 2 or 3, or ##STR3## wherein R.sup.4 is a hydrogen atom or a lower alkyl group, R.sup.5 is a lower alkyl group or ##STR4## wherein X.sup.2 is a hydrogen atom, a halogen atom, a lower alkyl group, a lower alkoxy group or a nitro group, n is 0 or 1, provided that when R.sup.5 is an alkyl group, n is 1; and R.sup.2 is a chlorine atom or a methoxy group, provided that when R.sup.1 is a hydrogen atom or a benzyl group, X is ##STR5## and R.sup.2 is a methoxy group, when R.sup.1 is ##STR6## X is a chlorine atom at the 6-position and R.sup.2 is a methoxy group, and when R.sup.1 is --(CH.sub.2).sub.m R.sup.3, X is a halogen atom at the 6-position.

  一种具有以下结构式的2-苯氧基嘧啶衍生物：##STR1## 其中X是卤素原子或##STR2## 其中X^1是卤素原子、低级烷基或低级烷氧基，k为0、1或2；R^1是氢原子、苯甲基、--(CH2)mR^3，其中R^3是氰基、甲酰基、二烷基氨基基、苯基、吡啶基、三甲基硅基、萘基、烷氧羰基、苯甲酰基、烷基硫基、苯基硫基、烷基磺酰基或苄氧基，m为1、2或3，或##STR3## 其中R^4是氢原子或低级烷基，R^5是低级烷基或##STR4## 其中X^2是氢原子、卤素原子、低级烷基、低级烷氧基或硝基，n为0或1，但当R^5为烷基时，n为1；R^2是氯原子或甲氧基，但当R^1为氢原子或苯甲基时，X为##STR5## 且R^2为甲氧基，当R^1为##STR6## 时，X为6-位的氯原子，R^2为甲氧基，当R^1为--(CH2)mR^3时，X为6-位的卤素原子。
• 6-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid imino ester
  申请人：Lucky Ltd.

  公开号：US05494888A1

  公开（公告）日：1996-02-27

  The present invention relates to 6-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid iminoester derivative of the general formula I; process of their preparation and a method for their application as herbicides: ##STR1## wherein R and Q are as defined in the specification.

  本发明涉及一种通式I的6-氯-2-(4,6-二甲氧基嘧啶-2-基)氧基苯甲酸亚氨基酯衍生物的制备方法和用作除草剂的方法：##STR1## 其中R和Q在说明书中已定义。