2-(4-Fluorophenyl)-4-(3-trifluoromethylphenyl)-5-methoxypyrimidine | 128305-92-0

• 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-(4-Fluorophenyl)-4-(3-trifluoromethylphenyl)-5-methoxypyrimidine
• 英文别名: 2-(4-fluorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine
• CAS: 128305-92-0
• 化学式: C₁₈H₁₂F₄N₂O
• 分子量: 348.3
• InChiKey: YNLWRMHATNYJOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  35
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-(4-Fluorophenyl)-4-(3-trifluoromethylphenyl)-5-methanesulfonylpyrimidine 、 sodium methylate 生成 2-(4-Fluorophenyl)-4-(3-trifluoromethylphenyl)-5-methoxypyrimidine
  参考文献：
  名称：

  CATO, DZYUNITI;KAVAMURA, SINITI;SANEHMITSU, YUTAKA;MITO, NOBUAKI;XAMADA, +

  摘要：

  DOI：
• 作为试剂：
  描述：

  2-(4-Fluorophenyl)-4-(3-trifluoromethylphenyl)-5-methanesulfonylpyrimidine 、 sodium methylate 、 甲醇 在 水 、 2-(4-Fluorophenyl)-4-(3-trifluoromethylphenyl)-5-methoxypyrimidine 作用下， 以 乙二醇二甲醚 为溶剂， 反应 5.0h， 以to obtain 1.5 g of 2-(4-fluorophenyl)-4-(3-trifluoromethylphenyl)-5-methoxypyrimidine (Compound 18)的产率得到2-(4-Fluorophenyl)-4-(3-trifluoromethylphenyl)-5-methoxypyrimidine
  参考文献：
  名称：

  5-substituted-2,4-diphenylpyrimidine derivatives, their production and

  摘要：

  化合物的公式（VIII）：##STR1## 其中R.sup.1在邻位或间位代表卤素-(C.sub.1至C.sub.6)-烷氧基；W.sup.2代表甲烷磺酰基、甲基硫基或##STR2## 其中R.sup.44是(C.sub.1至C.sub.3)-烷氧基。

  公开号：

  US05349108A1

文献信息

• 5-substituted-2,4-diphenylpyrimidine derivatives and their use
  申请人：Sumitomo Chemical Co., Ltd.

  公开号：US05190575A1

  公开（公告）日：1993-03-02

  A compound of the formula (I): ##STR1## wherein R.sup.1 represents a hydrogen atom, or a halogen atom, a (C.sub.1 to C.sub.3)-alkyl group, a halo-(C.sub.1 to C.sub.3)-alkyl group, a (C.sub.1 to C.sub.6)-alkoxy group, a (C.sub.2 to C.sub.6)-alkynyloxy group, a (C.sub.2 to C.sub.6)-alkenyloxy group, a halo-(C.sub.2 to C.sub.6)-alkynyloxy group, a halo-(C.sub.2 to C.sub.6)-alkenyloxy group, a (C.sub.1 to C.sub.2)-alkylthio group, a halo-(C.sub.1 to C.sub.6)-alkoxy group, a halo-(C.sub.1 to C.sub.2)-alkylthio group, a phenoxy group, a (C.sub.1 to C.sub.3)-alkylcarboxy group, a halo-(C.sub.1 to C.sub.3)-alkylcarboxy group, a (C.sub.1 to C.sub.2)-alkoxy-(C.sub.1 to C.sub.2)-alkoxy group, a halo-(C.sub.1 to C.sub.2)-alkoxy-halo-(C.sub.2 to C.sub.3)-alkoxy group, a (C.sub.1 to C.sub.3)-alkylsulfonyloxy group, a halo-(C.sub.1 to C.sub.3)-alkylsulfonyloxy group, a cyano group, a (C.sub.1 to C.sub.3)-alkoxycarbonyl group or an aminomethyl group, at the ortho or meta position; R.sup.2 and R.sup. 3, which may be either the same or different, each represents a hydrogen atom, a halogen atom, a (C.sub.1 to C.sub.2)-alkyl group, a halo-(C.sub.1 to C.sub.2)-alkyl group, a (C.sub.1 to C.sub.2)-alkoxy group, a nitro group, a (C.sub.1 to C.sub.2)-alkylthio group, a halo-(C.sub.1 to C.sub.2)-alkylthio group or a halo-(C.sub.1 to C.sub.2)-alkoxy group; and R.sup.4 represents a (C.sub.1 to C.sub.2)-alkyl group, provided that both R.sup.1 and R.sup.2 are not a hydrogen atom at the same time and that both of R.sup.2 and R.sup.3, if each representing a substituent other than a hydrogen atom, are not at the ortho position for the pyrimidine ring at the same time. The compound is used as herbicides.

  化合物的化学式为(I): ##STR1## 其中R.sup.1代表氢原子，或卤素原子，(C.sub.1至C.sub.3)-烷基，卤代(C.sub.1至C.sub.3)-烷基，(C.sub.1至C.sub.6)-烷氧基，(C.sub.2至C.sub.6)-炔氧基，(C.sub.2至C.sub.6)-烯氧基，卤代(C.sub.2至C.sub.6)-炔氧基，卤代(C.sub.2至C.sub.6)-烯氧基，(C.sub.1至C.sub.2)-烷硫基，卤代(C.sub.1至C.sub.6)-烷氧基，卤代(C.sub.1至C.sub.2)-烷硫基，苯氧基，(C.sub.1至C.sub.3)-烷基羧基，卤代(C.sub.1至C.sub.3)-烷基羧基，(C.sub.1至C.sub.2)-烷氧基-(C.sub.1至C.sub.2)-烷氧基，卤代(C.sub.1至C.sub.2)-烷氧基-卤代(C.sub.2至C.sub.3)-烷氧基，(C.sub.1至C.sub.3)-烷基磺酰氧基，卤代(C.sub.1至C.sub.3)-烷基磺酰氧基，氰基，(C.sub.1至C.sub.3)-烷氧羰基或氨甲基，位于邻位或间位；R.sup.2和R.sup.3，可以相同也可以不同，分别代表氢原子，卤素原子，(C.sub.1至C.sub.2)-烷基，卤代(C.sub.1至C.sub.2)-烷基，(C.sub.1至C.sub.2)-烷氧基，硝基，(C.sub.1至C.sub.2)-烷硫基，卤代(C.sub.1至C.sub.2)-烷硫基或卤代(C.sub.1至C.sub.2)-烷氧基；R.sup.4代表(C.sub.1至C.sub.2)-烷基，前提是R.sup.1和R.sup.2不同时为氢原子，并且如果R.sup.2和R.sup.3都代表非氢原子的取代基，则它们不同时位于嘧啶环的邻位。该化合物用作除草剂。
• 5-substituted-2,4-diphenylpyrimidine derivatives
  申请人：Sumitomo Chemical Co., Ltd.

  公开号：US05270467A1

  公开（公告）日：1993-12-14

  A compound is disclosed having the formula: ##STR1## wherein R.sup.1 represents a halo-(C.sub.1 to C.sub.6)-alkoxy group at the ortho or meta position, R.sup.2 and R.sup.3, which may be either the same or different, each represents a hydrogen atom, a halogen atom, a (C.sub.1 to C.sub.2)-alkyl group, a halo-(C.sub.1 to C.sub.2)-alkyl group, a (C.sub.1 to C.sub.2)-alkoxy group, a nitro group, a (C.sub.1 to C.sub.2)-alkylthio group, a halo-(C.sub.1 to C.sub.2)-alkylthio group or a halo-((C.sub.1 to C.sub.2)-alkoxy group, provided that both of R.sup.2 and R.sup.3, if each representing a substituent other than a hydrogen atom, are not at the ortho position for the pyrimidine ring at the same time, and W.sup.1 represents a methanesulfonyl group, or a methylthio group; provided that when W.sup.1 is a methylthio group, R.sup.1, R.sup.2 and R.sup.3 are R.sup.11, R.sup.22 and R.sup.33 wherein R.sup.11 represents a halo-(C.sub.1 to C.sub.6)-alkoxy group at the ortho or meta position, R.sup.22 and R.sup.33, which may be either the same or different, each represents a hydrogen atom, a halogen atom, a (C.sub.1 to C.sub.2)-alkyl group, a halo-(C.sub.1 to C.sub.2)-alkyl group, a (C.sub.1 to C.sub.2)-alkoxy group, or a halo-(C.sub.1 to C.sub.2)-alkoxy group, and both of R.sup.22 and R.sup.33, if each representing a substituent other than a hydrogen atom, are not at the ortho position for the pyrimidine ring at the same time.

  公开了一种化合物，其化学式为：##STR1##其中R.sup.1代表在邻位或间位具有卤代（C.sub.1到C.sub.6）-烷氧基团，R.sup.2和R.sup.3可以相同也可以不同，分别代表氢原子、卤素原子、（C.sub.1到C.sub.2）-烷基团、卤代（C.sub.1到C.sub.2）-烷基团、（C.sub.1到C.sub.2）-烷氧基团、硝基、（C.sub.1到C.sub.2）-烷基硫基团、卤代（C.sub.1到C.sub.2）-烷基硫基团或卤代（（C.sub.1到C.sub.2）-烷氧基团），前提是如果R.sup.2和R.sup.3都代表除氢原子外的取代基，则它们不同时位于嘧啶环的邻位位置，并且W.sup.1代表甲烷磺酰基或甲硫基；前提是当W.sup.1为甲硫基时，R.sup.1、R.sup.2和R.sup.3分别为R.sup.11、R.sup.22和R.sup.33，其中R.sup.11代表在邻位或间位具有卤代（C.sub.1到C.sub.6）-烷氧基团，R.sup.22和R.sup.33可以相同也可以不同，分别代表氢原子、卤素原子、（C.sub.1到C.sub.2）-烷基团、卤代（C.sub.1到C.sub.2）-烷基团、（C.sub.1到C.sub.2）-烷氧基团或卤代（C.sub.1到C.sub.2）-烷氧基团，并且如果R.sup.22和R.sup.33都代表除氢原子外的取代基，则它们不同时位于嘧啶环的邻位位置。
• 5-substituted-2,4-diphenyl-pyrimidine derivatives, their production and herbicidal use
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0354766A2

  公开（公告）日：1990-02-14

  Herbicidal compounds are of the formula: where R¹ = C1-3 alkyl, C1-6 alkoxy which may contain an un­saturated bond, C1-2 alkylthio, C1-3 alkylcarboxy or C1-­3 alkylsulfonyloxy, all of which may be halo-substituted, C1-2 alkoxy-C1-2 alkoxy, C1-3 alkoxycarbonyl, hydroxycarbonyl, -CN, aminomethyl or o-or p-CH₂OH; R² = C1-2 alkyl, C1-2 alkoxy or C1-2 alkythio all of which may be halo-substituted, or a halogen atom; and one of R¹ and R² can be hydrogen; R³ = C1-2 alkyl. Five syntheses are described, (A) from precursor where R³ is -CH₃ by reaction with R³O Metal in an inert solvent at 20-100°C for 0.5-­5 hrs; (B) from R¹ is -OH by reaction with a C2-C6 (halo) olefin, in an inert solvent at 30-150°C for 1-100 hrs; (C) from R¹ is C1-3 (halo) alkylsulfonyloxy at the o- or m-position, with or without an inert solvent in presence of a base at 0-50°C for 0.5-5 hrs; (D) from R¹ is C1-C6 (unsaturated) alkoxy at o- or m-­position, by reaction with an alkyl, alkenyl or alkynyl halide, in an inert solvent in presence of a base at 20-150°C for 0.5-5 hrs. (E) from R¹= C1-3 acyl by reaction with a diacyl ether, with or without an inert solvent and in presence of an acid catalyst at 0-100°C for 0.5-30 hrs. The compounds are formulated with solid or liquid carriers or diluents into herbicidal compositions and are useful for control of weeds.

  除草化合物的化学式如下 其中 R¹ = C1-3 烷基、可能含有不饱和键的 C1-6 烷氧基、C1-2 烷硫基、C1-3 烷基羧基或 C1-3 烷基磺酰氧基，所有这些烷氧基都可能被卤代、C1-2 烷氧基-C1-2 烷氧基、C1-3 烷氧基羰基、羟基羰基、-CN、氨甲基或 o-or p-CH₂OH ； R² = C1-2烷基、C1-2烷氧基或C1-2烷硫基，所有这些都可以是卤代，或卤原子； R¹ 和 R² 中的一个可以是氢； R³ = C1-2 烷基。 本文介绍了五种合成方法、 (A) 由 R³ 为-CH₃的前体与 R³O Metal 在 20-100°C 的惰性溶剂中反应 0.5-5 小时； (B) R¹为-OH，与 C2-C6（卤代）烯烃在 30-150°C 的惰性溶剂中反应 1-100 小时； (C) R¹ 的 o 位或 m 位为 C1-3（卤代）烷基磺酰氧基，在有或没有惰性 溶剂、有碱存在的情况下，在 0-50°C 下反应 0.5-5 小时； (D) R¹ 在 o 位或 m 位为 C1-C6（不饱和）烷氧基，与烷基、烯基或炔基卤化物反应，在有碱存在的惰性溶剂中，20-150℃，0.5-5 小时。 (E) R¹= C1-3酰基与二乙酰基醚反应，可使用或不使用惰性溶剂，并在酸催化剂存在下，在 0-100°C 下反应 0.5-30 小时。 这些化合物与固体或液体载体或稀释剂配制成除草组合物，可用于控制杂草。
• 5-Substituted-2,4-diphenylpyrimidine derivatives, their production and herbicidal use
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0425247A2

  公开（公告）日：1991-05-02

  Herbicidal compounds are of the formula: wherein R1 is a hydrogen or halogen atom, a (halo-) C1-3-alkyl, (halo)-C1-6alkoxy, (halo-)alkynyloxy, halo-C2-6alkenyloxy, (halo-)C1-2 alkylthio, phenoxy, (halo-)C1-3 alkylcarboxy, C1-2 alkoxy-Ci-2-hydroxy, halo-(C2-3)-alkoxy-(halo-) C2-3-alkoxy, (halo-) C1-3-alkylsulfonyloxy, C1-3alkoxycarbonyl, cyano or aminomethyl group, at the ortho - or meta - position; R2 and R3 is halogen, nitro, (halo-)C1-2-alkyl group; and C1-2-alkylthio or (halo-)C1-2-alkoxy group;and R4 represents C1-2alkyl, provided that both of R2 and R3 are not at ortho position for the pyrimidine ring. Several preparation methods are described; and numerous specific compounds. A novel starting material is of the formula: where R2 and R3 are as above and can also be hydrogen and are not both ortho -; and W2 is one of numerous substituent groups. Compounds (I) are made into usual herbicidal preparations, especially an emulsifiable concentrate, wettable powder, a suspension or granules, and are effective against various weeds in crop plants.

  除草化合物的化学式如下 其中 R1 是氢原子或卤原子、(卤代)C1-3-烷基、(卤代)-C1-6-烷氧基、(卤代)炔氧基、卤代-C2-6-烯氧基、(卤代)C1-2-烷硫基、苯氧基、(卤代)C1-3-烷基羧基C1-2-烷氧基-Ci-2-羟基、卤代-（C2-3）-烷氧基-（卤代-）C2-3-烷氧基、（卤代-）C1-3-烷基磺酰氧基、C1-3-烷氧基羰基、氰基或氨基甲基，位于正-或偏-位置；R2 和 R3 是卤素、硝基、（卤代）C1-2-烷基、C1-2-烷硫基或（卤代）C1-2-烷氧基；以及 R4 代表 C1-2-烷基，条件是 R2 和 R3 都不位于嘧啶环的正交位置。 本文介绍了几种制备方法和许多具体的化合物。 一种新型起始原料的结构式如下 其中 R2 和 R3 如上所述，也可以是氢，且不都是正交-；W2 是众多取代基团之一。 化合物(I)可制成通常的除草制剂，特别是乳油、可湿性粉剂、悬浮剂或颗粒剂，对作物中的各种杂草有效。
• JPH02174767A
  申请人：——

  公开号：JPH02174767A

  公开（公告）日：1990-07-06