2-[(4,6-Dimethoxy-2-pyrimidinyl)oxy]-6-methoxybenzoic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[(4,6-Dimethoxy-2-pyrimidinyl)oxy]-6-methoxybenzoic acid
• 英文别名: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-methoxybenzoic acid
• 化学式: C₁₄H₁₄N₂O₆
• 分子量: 306.27
• InChiKey: SOHDJKLQVRKHRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• Pyrimidine derivatives and their use as herbicides
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0457505A2

  公开（公告）日：1991-11-21

  A pyrimidine derivative has the formula, wherein A is C3-C8 cycloalkyl C1-C6 alkyl, C3-C8 cycloalkyl C1-C6 alkyl substituted with at least one member selected from the group consisting of C1-C6 alkyl and halogen, C3-C6 oxacycloalkyl, C3-C6 oxacycloalkyl substituted with at least one member selected from the group consisting of C1-C6 alkyl and halogen, C3-C6 oxacydoalkyl C1-C6 alkyl, C3-C6 oxacycloalkyl C1-C6 alkyl substituted with at least one member selected from the group consisting of C1-C6 alkyl and halogen, C3-C5 dioxacycloalkyl, C3-C5 dioxacycloalkyl substituted with at least one member selected from the group consisting of C1-C6 alkyl and halogen, C3-C5 dioxacycloalkyl C1-C6 alkyl or C2-C5 dioxacycloalkyl C1-C6 alkyl substituted with at least one member selected from the group consisting of C1-C6 alkyl and halogen ; each of R1 and R2, which may be the same or different, is C1-C6 alkyl, C1-C6 alkoxy, halo C1-C6 alkoxy or halogen ; X is oxygen or sulfur ; Z is nitrogen or CY4; each of Y1, Y2 and Y3, which may be the same or different, is hydrogen, halogen, C1-C6 alkyl or C1-C6 alkoxy; and Y4 is hydrogen, hydroxyl, mercapto, nitro, halogen, C1-C6 alkyl, C2-C6 alkenyl, C2-C6 alkynyl, C1-C6 alkoxy, C3-C6 alkenyloxy, C3-C6 alkynyloxy, halo C1-C6 alkyl, halo C2-C6 alkenyl, halo C2-C6 alkynyl, halo C1-C6 alkoxy, halo C3-C6 alkenyloxy, halo C3-C6 alkynyloxy, C1-C6 alkoxy C1-C6 alkyl, C3-C6 alkenyloxy C1-C6 alkyl, C3-C6 alkynyloxy C1-C6 alkyl, cyano, formyl, carboxyl, C1-C6 alkoxycarbonyl, C3-C6 alkenyloxycarbonyl, C3-C6 alkynyloxycarbonyl, phenyl, phenyl substituted with at least one member

  一种嘧啶衍生物具有以下式子 其中 A 是 C3-C8 环烷基 C1-C6 烷基、被至少一个选自由 C1-C6 烷基和卤素组成的组的成员取代的 C3-C8 环烷基 C1-C6 烷基、C3-C6 氧代环烷基、被至少一个选自由 C1-C6 烷基和卤素组成的组的成员取代的 C3-C6 氧代环烷基、C3-C6 氧代烷基 C1-C6 烷基、C3-C5 二氧环烷基、C3-C5 二氧环烷基、C3-C5 二氧环烷基、C3-C5 二氧环烷基 C1-C6 烷基或 C2-C5 二氧环烷基 C1-C6 烷基被至少一个选自 C1-C6 烷基和卤素的成员取代； R1 和 R2（可以相同或不同）各自为 C1-C6 烷基、C1-C6 烷氧基、卤代 C1-C6 烷氧基或卤素； X 是氧或硫； Z 是氮或 CY4； Y1、Y2 和 Y3（可以相同或不同）各自是氢、卤素、C1-C6 烷基或 C1-C6 烷氧基；以及 Y4 是氢、羟基、巯基、硝基、卤素、C1-C6 烷基、C2-C6 烯基、C2-C6 炔基、C1-C6 烷氧基、C3-C6 烯氧基、C3-C6 炔氧基、卤代 C1-C6 烷基、卤代 C2-C6 烯基、卤代 C2-C6 炔基、卤代 C1-C6 烷氧基、卤代 C3-C6 烯氧基、卤代 C3-C6 烷氧基、C1-C6 烷氧基 C1-C6烷基、C3-C6 烯氧基 C1-C6烷基、C3-C6 烷炔氧基 C1-C6烷基、氰基、甲酰基、羧基、C1-C6 烷氧基羰基、C3-C6 烯氧基羰基、C3-C6 烷炔氧基羰基、苯基、至少被一个成员取代的苯基
• Pyrimidine derivatives
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0468690A1

  公开（公告）日：1992-01-29

  A pyrimidine derivative has the formula, wherein each of R¹ and R², which may be the same or different, is C₁-C₆ alkyl, C₁-C₆ alkoxy, halo C₁-C₆ alkoxy or halogen;    R³ is hydrogen or C₁-C₆ alkyl;    R⁴ is C₁-C₆ alkyl, halo C₁-C₆ alkyl, benzyl, phenyl or phenyl substituted with at least one member selected from the group consisting of C₁-C₆ alkyl, C₁-C₆ alkoxy, halo C₁-C₆ alkyl, C₁-C₆ alkoxycarbonyl, nitro and halogen;    X is oxygen or sulfur;    Z is nitrogen or CY⁴;    each of Y¹, Y² and Y³, which may be the same or different, is hydrogen, halogen, C₁-C₆ alkyl or C₁-C₆ alkoxy; and    Y⁴ is hydrogen, hydroxyl, mercapto, nitro, halogen, C₁-C₆ alkyl, C₂-C₆ alkenyl, C₂-C₆ alkynyl, C₁-C₆ alkoxy, C₃-C₆ alkenyloxy, C₃-C₆ alkynyloxy, halo C₁-C₆ alkyl, halo C₂-C₆ alkenyl, halo C₂-C₆ alkynyl, halo C₁-C₆ alkoxy, halo C₃-C₆ alkenyloxy, halo C₃-C₆ alkynyloxy, C₁-C₆ alkoxy C₁-C₆ alkyl, C₃-C₆ alkenyloxy C₁-C₆ alkyl, C₃-C₆ alkynyloxy C₁-C₆ alkyl, cyano, formyl, carboxyl, C₁-C₆ alkoxycarbonyl, C₃-C₆ alkenyloxycarbonyl, C₃-C₆ alkynyloxycarbonyl, phenyl, phenyl substituted with at least one member selected from the group consisting of C₁-C₆ alkyl, C₁-C₆ alkoxy, halo C₁-C₆ alkyl, C₁-C₆ alkoxycarbonyl and halogen, phenoxy, phenoxy substituted with at least one member selected from the group consisting of C₁-C₆ alkyl, C₁-C₆ alkoxy, halo C₁-C₆ alkyl, C₁-C₆ alkoxycarbonyl and halogen, phenylthio, phenylthio substituted with at least one member selected from the group consisting of C₁-C₆ alkyl, C₁-C₆ alkoxy, halo C₁-C₆ alkyl, C₁-C₆ alkoxycarbonyl and halogen, benzyloxy, benzyloxy substituted with at least one member selected from the group consisting of C₁-C₆ alkyl, C₁-C₆ alkoxy, halo C₁-C₆ alkyl, C₁-C₆ alkoxycarbonyl and halogen, benzylthio, benzylthio substituted with at least one member selected from the group consisting of C₁-C₆ alkyl, C₁-C₆ alkoxy, halo C₁-C₆ alkyl, C₁-C₆ alkoxycarbonyl and halogen, wherein each of R⁵ and R⁶, which may be the same or different, is hydrogen, C₁-C₆ alkyl, C₃-C₆ alkenyl or C₃-C₆ alkynyl, wherein R⁵ and R⁶ are as defined above, wherein R⁷ is C₁-C₆ alkyl, C₃-C₆ alkenyl or C₃-C₆ alkynyl and m is an integer of 0, 1 or 2, wherein X¹ is oxygen or sulfur, and R⁷ is as defined above, or wherein R⁷ and m are as defined above, and n is an integer from 1 to 4.

  嘧啶衍生物的化学式为 其中 R¹ 和 R² 可以相同或不同，各自为 C₁-C₆烷基、C₁-C₆烷氧基、卤代 C₁-C₆烷氧基或卤素； R³ 是氢或 C₁-C₆ 烷基； R⁴ 是 C₁-C₆ 烷基、卤代 C₁-C₆ 烷基、苄基、苯基或至少被选自 C₁-C₆ 烷基的一个成员取代的苯基、C₁-C₆烷氧基、卤代 C₁-C₆烷基、C₁-C₆烷氧羰基、硝基和卤素； X 是氧或硫 Z 是氮或 CY⁴； Y¹、Y² 和 Y³ （可以相同或不同）各自是氢、卤素、C₁-C₆ 烷基或 C₁-C₆ 烷氧基；以及 Y⁴ 是氢、羟基、巯基、硝基、卤素、C₁-C₆ 烷基、C₂-C₆ 烯基、C₂-C₆ 炔基、C₁-C₆ 烷氧基、C₃-C₆ 烯氧基、C₃-C₆ 烷炔氧基、卤代 C₁-C₆ 烷基、卤代 C₂-C₆ 烯基、卤代 C₂-C₆ 烷基、卤代 C₁-C₆ 烷氧基、卤代 C₃-C₆ 烯氧基、卤代 C₃-C₆ 烷炔氧基、C₁-C₆ 烷氧基 C₁-C₆ 烷基、C₃-C₆烯氧基 C₁-C₆烷基、C₃-C₆炔氧基 C₁-C₆烷基、氰基、甲酰基、羧基、C₁-C₆烷氧基羰基、C₃-C₆烯氧基羰基、C₃-C₆炔氧基羰基、苯基、被至少一个选自 C₁-C₆ 烷基、C₁-C₆ 烷氧基、卤代 C₁-C₆ 烷基、C₁-C₆ 烷氧羰基和卤素组成的组的成员取代的苯基、苯氧基、至少被选自 C₁-C₆ 烷基、C₁-C₆ 烷氧基、卤代 C₁-C₆ 烷基、C₁-C₆ 烷氧羰基和卤素组成的组中的一个成员取代的苯氧基， 苯硫基被至少一个选自 C₁-C₆ 烷基、C₁-C₆ 烷氧基、卤代 C₁-C₆ 烷基、C₁-C₆ 烷氧羰基和卤素组成的组的成员取代的苯硫基， 苄氧基、被至少一个选自 C₁-C₆烷基、C₁-C₆烷氧基、卤代 C₁-C₆烷基、C₁-C₆烷氧羰基和卤素组成的组的成员取代的苄氧基、苄硫基被至少一个选自 C₁-C₆ 烷基、C₁-C₆ 烷氧基、卤代 C₁-C₆ 烷基、C₁-C₆ 烷氧羰基和卤素组成的组的成员取代的苄硫基、 其中 R⁵ 和 R⁶ 可以相同或不同，各自为氢、C₁-C₆ 烷基、C₃-C₆ 烯基或 C₃-C₆炔基、 其中 R⁵ 和 R⁶ 如上文所定义、 其中 R⁷ 是 C₁-C₆ 烷基、C₃-C₆ 烯基或 C₃-C₆ 烷基，且 m 是 0、1 或 2 的整数、 其中 X¹ 为氧或硫，且 R⁷ 如上文所定义，或 其中 R⁷ 和 m 如上文所定义，且 n 为 1 至 4 的整数。
• Pyrimidine derivatives, process for their preparation and their use as herbicide
  申请人：LUCKY LTD.

  公开号：EP0658549A1

  公开（公告）日：1995-06-21

  The present invention relates to a novel herbicidal pyrimidine derivative represented by the following general formula (I): in which R₁represents 4,6-dimethoxy-2-pyrimidinyl, C₁-C₄ alkyl, C₂-C₄ alkenyl, acyl, alkylsulfonyl or heteroarylmethyl; R₂represents hydrogen, halogen, cyano, nitro, C₁-C₈ alkyl, C₁-C₈ alkoxy, C₁-C₈ alkylthio, C₁-C₈ alkoxycarbonyl C₂-C₄ alkenyloxycarbonyl, arylmethoxycarbonyl, heteroarylmethoxycarbonyl, C₁-C₄ alkylaminocarbonyl, aryl-C₁-C₄ alkylaminocarbonyl, heteroarylmethylaminocarbonyl, aryl, C₂-C₈ alkenyl, C₃-C₆ cycloalkyl, benzyl, aryloxy, arylthio or C₁-C₈ alkylcarbonyl; and R₃represents phenyl group which can be optionally substituted with substituent selected from the group consisting of halogen, cyano, nitro, C₁-C₄ alkyl, C₃-C₆ cycloalkyl, C₁-C₄ alkoxy, C₁-C₄ alkenyloxy, C₁-C₄ alkylthio, amino which can be substituted with C₁-C₄ alkyl, aryl, aryloxy, C₁-C₄ acyl, C₁-C₄ acyloxy and C₂-C₄ alkenyl, or represents a group of formula -COR₄ wherein R₄ represents hydrogen, C₁-C₄ alkyl, C₂-C₄ alkenyl, C₃-C₆ cycloalkyl, benzyl, aryl, C₁-C₄ alkoxy, C₂-C₄ alkenyloxy, C₃-C₆ cycloalkyloxy, benzyloxy, aryloxy, C₁-C₄ alkylthio, C₂-C₄ alkenylthio, C₃-C₆ cycloalkylthio, benzylthio, arylthio, amino which can be substituted with C₁-C₄ alkyl, amino which can be substituted with aryl, or amino which can be substituted with arylmethyl, and to a process for preparation thereof and a herbicidal composition containing the compound (I) as an active ingredient and also to an intermediate useful for preparing the compound of formula (I).

  本发明涉及一种新型除草嘧啶衍生物，由以下通式(I)表示： 其中 R₁代表 4,6-二甲氧基-2-嘧啶基、C₁-C₄ 烷基、C₂-C₄ 烯基、酰基、烷基磺酰基或杂芳基甲基； R₂ 代表氢、卤素、氰基、硝基、C₁-C₈ 烷基、C₁-C₈ 烷氧基、C₁-C₈ 烷硫基、C₁-C₈ 烷氧基羰基、C₂-C₄ 烯氧基羰基、芳基甲氧基羰基、杂芳基甲氧基羰基、C₁-C₄烷基氨基羰基、芳基-C₁-C₄烷基氨基羰基、杂芳基甲基氨基羰基、芳基、C₂-C₈烯基、C₃-C₆环烷基、苄基、芳氧基、芳硫基或 C₁-C₈烷基羰基；和 R₃ 代表苯基，可任选被选自以下组别的取代基取代：卤素、氰基、硝基、C₁-C₄ 烷基、C₃-C₆ 环烷基、C₁-C₄ 烷氧基、C₁-C₄ 烯氧基、C₁-C₄ 烷硫基、可被 C₁-C₄ 烷基、芳基、芳氧基、C₁-C₄ 酰基、C₁-C₄ 酰氧基和 C₂-C₄ 烯基取代的氨基，或代表式 -COR₄ 其中 R₄ 代表氢的基团、C₁-C₄烷基、C₂-C₄烯基、C₃-C₆环烷基、苄基、芳基、C₁-C₄烷氧基、C₂-C₄烯氧基、C₃-C₆环烷氧基、苄氧基、芳氧基、C₁-C₄烷硫基、C₂-C₄烯硫基、C₃-C₆环烷硫基、苄基硫基、芳基硫基、可被 C₁-C₄ 烷基取代的氨基、可被芳基取代的氨基或可被芳基甲基取代的氨基、 及其制备工艺和含有作为活性成分的化合物(I)的除草组合物，以及制备式(I)化合物的中间体。
• US5129938A
  申请人：——

  公开号：US5129938A

  公开（公告）日：1992-07-14
• US5232897A
  申请人：——

  公开号：US5232897A

  公开（公告）日：1993-08-03