6-chloro-4-isopropylamino-2-methylsulfonyl-5-(2,4,6-trifluorophenyl)pyrimidine | 531517-62-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6-chloro-4-isopropylamino-2-methylsulfonyl-5-(2,4,6-trifluorophenyl)pyrimidine
• 英文别名: 6-Chloro-4-isopropylamino-2-methylsulfonyl-5-(2,4,6-trifluoro-phenyl)pyrimidine；6-chloro-2-methylsulfonyl-N-propan-2-yl-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine
• CAS: 531517-62-1
• 化学式: C₁₄H₁₃ClF₃N₃O₂S
• 分子量: 379.79
• InChiKey: HQUDHNYFINPINT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  80.3
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  6-chloro-4-isopropylamino-2-methylsulfonyl-5-(2,4,6-trifluorophenyl)pyrimidine 在 肼 作用下， 以 乙醇 为溶剂， 反应 1.5h， 生成 6-chloro-2-hydrazino-4-isopropylamino-5-(2,4,6-trifluorophenyl)pyrimidine
  参考文献：
  名称：

  [DE] HETEROBICYCLISCHE VERBINDUNGEN ALS FUNGIZIDE
  [EN] HETEROBICYCLIC COMPOUNDS USED AS FUNGICIDES
  [FR] COMPOSES HETEROCYCLIQUES UTILISES EN TANT QUE FONGICIDES

  摘要：

  这项发明涉及一般式(I)的双环连接物，以及连接物(I)的农业可容忍盐、包含至少一种一般式(I)连接物和/或(I)的农业可容忍盐、至少一种液体或固体载体的植物保护剂，以及一种用于对抗植物病原真菌的方法。

  公开号：

  WO2004092175A1

文献信息

• 5-phenypyrimidines their preparation compositions comprising them and their use
  申请人：Gypser Andreas

  公开号：US20060148764A1

  公开（公告）日：2006-07-06

  5-Phenylpyrimidines of the formula I in which the substituents and the index are as defined below: R 1 ,R 2 are hydrogen, alkyl, haloalkyl, cycloalkyl, halocycloalkyl, alkenyl, haloalkenyl, alkynyl or haloalkynyl, and R 1 and R 2 together with the nitrogen atom to which they are attached may also form a saturated or unsaturated ring which may be interrupted by an ether, thio, sulfoxyl or sulfonyl group and may be substituted by one to four groups R a and/or R b ; R 3 is hydrogen, halogen, cyano, alkyl, haloalkyl, alkoxy, haloalkoxy or alkenyloxy; R 4 is hydrogen, halogen, cyano, hydroxyl, mercapto, azido, alkyl, alkenyl, alkynyl, haloalkyl, alkoxy, alkenyloxy, alkynyloxy, haloalkoxy, alkylthio, alkenylthio, alkynylthio, haloalkylthio, —ON═CR a R b , —CR c ═NOR a , —NR c N═CR a R b , —NR a R b , —NR c NR a R b , —NOR a , —NR c C(═NR c′ )NR a R b , —NR c C(═O)NR a R b , —NR a C(═O)R c , —NR a C(═NOR c )R c′ , —OC(═O)R c , —C(═NOR c )NR a R b , —CR c (═NNR a R b ), —C(═O)NR a R b or —C(═O)R c ; in which R a , R b and R c are as defined in the description; X is halogen, alkyl, alkoxy or haloalkyl; and m is an integer from 1 to 5; processes for preparing these compounds, compositions comprising them and their use for controlling harmful fungi are described.

  式I中的5-苯基嘧啶，其中取代基和指数定义如下：R1，R2为氢，烷基，卤代烷基，环烷基，卤代环烷基，烯基，卤代烯基，炔基或卤代炔基，而且R1和R2连同它们所连接的氮原子也可以形成一个饱和或不饱和的环，该环可以被醚，硫，亚硫氧基或磺酰基所中断，并且可以被一个到四个Ra和/或Rb基团取代；R3为氢，卤素，氰基，烷基，卤代烷基，烷氧基，卤代烷氧基或烯氧基；R4为氢，卤素，氰基，羟基，巯基，偶氮基，烷基，烯基，炔基，卤代烷基，烷氧基，烯氧基，炔氧基，卤代烷氧基，烷硫基，烯硫基，炔硫基，卤代烷硫基，-ON═CRaRb，-CRc═NORa，-NRcN═CRaRb，-NRaRb，-NRcNRaRb，-NORa，-NRcC(═NRc′)NRaRb，-NRcC(═O)NRaRb，-NRaC(═O)Rc，-NRaC(═NORc)Rc′，-OC(═O)Rc，-C(═NORc)NRaRb，-CRc(═NNRaRb)，-C(═O)NRaRb或-C(═O)Rc；其中Ra，Rb和Rc如描述中所定义；X为卤素，烷基，烷氧基或卤代烷基；m为1至5之间的整数；描述了制备这些化合物的方法，包括它们的组成物和用于控制有害真菌的用途。
• Heterobicyclic compounds used as fungicides
  申请人：i Blasco Tormo Jordi

  公开号：US20060199801A1

  公开（公告）日：2006-09-07

  Bicyclic compounds of the formula I in which A 1 or A 5 is C and the other of the two variables A 1 , A 5 is N, C or C—R 3 ; A 2 , A 3 , A 4 independently of one another are N or C—R 3a , where one of the variables A 2 , A 3 or A 4 may also be S or a group N—R 4 if A 1 and A 5 are both C, and where A 4 is not N or C—R 3a if A 1 is N, A 3 is C—R 3a and A 5 is C, and where A 1 is attached to A 2 and A 3 to A 4 or A 2 is attached to A 3 and A 4 to A 5 or A 1 is attached to A 5 and A 2 to A 3 or A 1 is attached to A 5 and A 3 to A 4 or A 1 is attached to A 2 and A 4 to A 5 by double bonds; n is 0, 1, 2, 3, 4 or 5; R a is halogen, cyano, C 1 -C 6 -alkyl, C 1 -C 6 -alkoxy, C 1 -C 6 -haloalkyl, C 1 -C 6 -haloalkoxy, C 2 -C 6 -alkenyl, C 2 -C 6 -alkenyloxy or C(O)R 5 ; R 1 is halogen, cyano, C 1 -C 10 -alkyl, where a carbon atom of the C 1 -C 10 -alkyl radical may be replaced by a silicium atom, C 1 -C 6 -haloalkyl, C 2 -C 10 -alkenyl, C 2 -C 6 -haloalkenyl, C 2 -C 6 -alkynyl, C 3 -C 8 -cycloalkyl, C 3 -C 8 -cycloalkyl-C 1 -C 4 -alkyl, where the cycloalkyl moiety of the two last-mentioned groups may be unsubstituted or contain 1, 2, 3, 4, 5, or 6 radicals selected from the group consisting of C 1 -C 4 -alkylidene, C 1 -C 4 -alkyl, halogen, C 1 -C 4 -haloalkyl and hydroxy and the alkyl moiety of C 3 -C 8 -cycloalkyl-C 1 -C 4 -alkyl may be unsubstituted or contain 1, 2, 3, or 4 radicals selected from the group consisting of halogen, C 1 -C 4 -haloalkyl and hydroxy, C 5 -C 8 -cycloalkenyl which may be unsubstituted or contain 1, 2, 3 or 4 radicals selected from the group consisting of C 1 -C 4 -alkyl, halogen, C 1 -C 4 -haloalkyl and hydroxy, OR 6 , SR 6 , NR 7 R 8 , a radical of the formula —C(R 11 )(R 12 )C(═NOR 13 )(R 14 ) or a radical of the formula —C(═NOR 15 )C(═NOR 16 )(R 17 ); R 2 is halogen, cyano, C 1 -C 6 -alkyl, C 1 -C 6 -haloalkyl, C 2 -C 6 -alkenyl, C 2 -C 6 -haloalkenyl, C 2 -C 6 -alkynyl, C 3 -C 8 -cycloalkyl, C 5 -C 8 -cycloalkenyl, OR 6 , SR 6 or NR 7 R 8 ; and the agriculturally acceptable salts of the compounds I, crop protection compositions comprising at least one compound of the formula I and/or an agriculturally acceptable salt of I and at least one solid or liquid carrier and a method for controlling phytopathogenic harmful fungi are described.

  化合物I的双环化合物，其中A1或A5为C，而另一个变量A1、A5为N、C或C—R3；A2、A3、A4彼此独立且为N或C—R3a，其中变量A2、A3或A4中的一个也可以是S或一个N—R4基团，如果A1和A5都是C，则A4不是N或C—R3a，如果A1是N，A3是C—R3a，A5是C，则A1附着于A2，A3附着于A4；或A2附着于A3，A4附着于A5；或A1附着于A5，A2附着于A3；或A1附着于A5，A3附着于A4；或A1附着于A2，A4附着于A5，其中双键连接；n为0、1、2、3、4或5；Ra为卤素、氰基、C1-C6烷基、C1-C6烷氧基、C1-C6卤代烷基、C1-C6卤代烷氧基、C2-C6烯基、C2-C6烯氧基或C(O)R5；R1为卤素、氰基、C1-C10烷基（其中C1-C10烷基基团的一个碳原子可以被硅原子替换）、C1-C6卤代烷基、C2-C10烯基、C2-C6卤代烯基、C2-C6炔基、C3-C8环烷基、C3-C8环烷基-C1-C4烷基（其中最后两个基团的环烷基部分可以是未取代的或包含1、2、3、4、5或6个从C1-C4烷基亚基、卤素、C1-C4卤代烷基和羟基中选择的基团，而C3-C8环烷基-C1-C4烷基的烷基部分可以是未取代的或包含1、2、3或4个从卤素、C1-C4卤代烷基和羟基中选择的基团）、C5-C8环烯基（可以是未取代的或包含1、2、3或4个从C1-C4烷基、卤素、C1-C4卤代烷基和羟基中选择的基团）、OR6、SR6、NR7R8、式—C(R11)(R12)C(═NOR13)(R14)的基团或式—C(═NOR15)C(═NOR16)(R17)的基团；R2为卤素、氰基、C1-C6烷基、C1-C6卤代烷基、C2-C6烯基、C2-C6卤代烯基、C2-C6炔基、C3-C8环烷基、C5-C8环烯基、OR6、SR6或NR7R8；以及化合物I的农业可接受盐，包含至少一种化合物I和/或化合物I的农业可接受盐以及至少一种固体或液体载体的作物保护组合物和控制植物病原真菌的方法。
• 5-PHENYLPYRIMIDINES, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE
  申请人：GYPSER Andreas

  公开号：US20070149551A1

  公开（公告）日：2007-06-28

  5-Phenylpyrimidines of the formula I in which the substituents and the index are as defined below: R 1 ,R 2 are hydrogen, alkyl, haloalkyl, cycloalkyl, halocycloalkyl, alkenyl, haloalkenyl, alkynyl or haloalkynyl, and R 1 and R 2 together with the nitrogen atom to which they are attached may also form a saturated or unsaturated ring which may be interrupted by an ether, thio, sulfoxyl or sulfonyl group and may be substituted by one to four groups R a and/or R b ; R 3 is hydrogen, halogen, cyano, alkyl, haloalkyl, alkoxy, haloalkoxy or alkenyloxy; R 4 is hydrogen, halogen, cyano, hydroxyl, mercapto, azido, alkyl, alkenyl, alkynyl, haloalkyl, alkoxy, alkenyloxy, alkynyloxy, haloalkoxy, alkylthio, alkenylthio, alkynylthio, haloalkylthio, —ON═CRN a R b , —CR c ═NOR a , —NR c N═CR a R b , —NR a R b , —NR c NR a R b , —NOR a , —NR c C (═NR c′ )NR a R b , —NR c C(═O)NR a R b , —NR a C(═O)R c , —NR a C(═NOR c )R c′ , —OC (═O)R c , —C(═NOR c )NR a R b , —CR c (═NNR a R b ), —C (═O)NR a R b or —C(═O) R c ; in which R a , R b and R c are as defined in the description; X is halogen, alkyl, alkoxy or haloalkyl; and m is an integer from 1 to 5; processes for preparing these compounds, compositions comprising them and their use for controlling harmful fungi are described.

  公式I中的5-苯基嘧啶化合物，其中取代基和指数定义如下：R1、R2为氢、烷基、卤代烷基、环烷基、卤代环烷基、烯基、卤代烯基、炔基或卤代炔基，且R1和R2与它们附着的氮原子也可以形成饱和或不饱和环，该环可以被醚、硫、亚硫酰基或磺酰基中断，并且可以被一个到四个基团Ra和/或Rb取代；R3为氢、卤素、氰基、烷基、卤代烷基、烷氧基、卤代烷氧基或烯氧基；R4为氢、卤素、氰基、羟基、巯基、叠氮基、烷基、烯基、炔基、卤代烷基、烷氧基、烯氧基、炔氧基、卤代烷氧基、烷硫基、烯硫基、炔硫基、卤代烷硫基、-ON═CRNaRb，-CRc═NORa，-NRcN═CRaRb，-NRaRb，-NRcNRaRb，-NORa，-NRcC（═NRc'）NRaRb，-NRcC（═O）NRaRb，-NRaC（═O）Rc，-NRaC（═NORc）Rc'，-OC（═O）Rc，-C（═NORc）NRaRb，-CRc（═NNRaRb），-C（═O）NRaRb或-C（═O）Rc；其中Ra、Rb和Rc如描述中所定义；X为卤素、烷基、烷氧基或卤代烷基；m为1至5的整数；描述了制备这些化合物的过程、包含它们的组合物以及它们用于控制有害真菌的用途。
• 5-phenylpyrimidines, their preparation, compositions comprising them and their use
  申请人：BASF Aktiengesellschaft

  公开号：US07449471B2

  公开（公告）日：2008-11-11

  5-Phenylpyrimidines of the formula I in which the substituents and the index are as defined below: R1,R2 are hydrogen, alkyl, haloalkyl, cycloalkyl, halocycloalkyl, alkenyl, haloalkenyl, alkynyl or haloalkynyl, and R1 and R2 together with the nitrogen atom to which they are attached may also form a saturated or unsaturated ring which may be interrupted by an ether, thio, sulfoxyl or sulfonyl group and may be substituted by one to four groups Ra and/or Rb; R3 is hydrogen, halogen, cyano, alkyl, haloalkyl, alkoxy, haloalkoxy or alkenyloxy; R4 is hydrogen, halogen, cyano, hydroxyl, mercapto, azido, alkyl, alkenyl, alkynyl, haloalkyl, alkoxy, alkenyloxy, alkynyloxy, haloalkoxy, alkylthio, alkenylthio, alkynylthio, haloalkylthio, —ON═CRaRb, —CRc═NORa, —NRcN═CRaRb, —NRaRb, —NRcNRaRb, —NORa, —NRcC(═NRc′)NRaRb, —NRcC(═O)NRaRb, —NRaC(═O)Rc, —NRaC(═NORc)Rc′, —OC(═O)Rc, —C(═NORc)NRaRb, —CRc(═NNRaRb), —C (═O)NRaRb or —C(═O)Rc; in which Ra, Rb and Rc are as defined in the description; X is halogen, alkyl, alkoxy or haloalkyl; and m is an integer from 1 to 5 ; processes for preparing these compounds, compositions comprising them and their use for controlling harmful fungi are described.

  式I中，取代基和指数定义如下： R1，R2为氢，烷基，卤代烷基，环烷基，卤代环烷基，烯基，卤代烯基，炔基或卤代炔基，R1和R2与它们连接的氮原子也可以形成饱和或不饱和环，该环可以被醚，硫醚，亚砜或磺酰基中断，并且可以被一个到四个Ra和/或Rb基团取代； R3为氢，卤素，氰基，烷基，卤代烷基，烷氧基，卤代烷氧基或烯氧基； R4为氢，卤素，氰基，羟基，硫醇基，叠氮基，烷基，烯基，炔基，卤代烷基，烷氧基，烯氧基，炔氧基，卤代烷氧基，烷硫基，烯硫基，炔硫基，卤代烷硫基，—ON═CRaRb，—CRc═NORa，—NRcN═CRaRb，—NRaRb，—NRcNRaRb，—NORa，—NRcC(═NRc′)NRaRb，—NRcC(═O)NRaRb，—NRaC(═O)Rc，—NRaC(═NORc)Rc′，—OC(═O)Rc，—C(═NORc)NRaRb，—CRc(═NNRaRb)，—C(═O)NRaRb或—C(═O)Rc；其中Ra，Rb和Rc的定义如描述中所述； X为卤素，烷基，烷氧基或卤代烷基； m为1到5的整数； 描述了制备这些化合物的方法，包含它们的组合物以及它们用于控制有害真菌的用途。
• 5-Phenypyrimidines their preparation compositions comprising them and their use
  申请人：BASF Aktiengesellschaft

  公开号：US07465735B2

  公开（公告）日：2008-12-16

  5-Phenylpyrimidines, their preparation, compositions comprising them and their use 5-Phenylpyrimidines of the formula I in which the substituents and the index are as defined below: R1,R2 are hydrogen, alkyl, haloalkyl, cycloalkyl, halocycloalkyl, alkenyl, haloalkenyl, alkynyl or haloalkynyl, and R1 and R2 together with the nitrogen atom to which they are attached may also form a saturated or unsaturated ring which may be interrupted by an ether, thio, sulfoxyl or sulfonyl group and may be substituted by one to four groups Ra and/or Rb; R3 is hydrogen, halogen, cyano, alkyl, haloalkyl, alkoxy, haloalkoxy or alkenyloxy; R4 is hydrogen, halogen, cyano, hydroxyl, mercapto, azido, alkyl, alkenyl, alkynyl, haloalkyl, alkoxy, alkenyloxy, alkynyloxy, haloalkoxy, alkylthio, alkenylthio, alkynylthio, haloalkylthio, —ON═CRaRb, —CRc═NORa, —NRcN═CRaRb, —NRaRb, —NRcNRaRb, —NORa, —NRcC(═NRc′)NRaRb, —NRcC(═O)NRaRb, —NRaC(═O)Rc, —NRaC(═NORc)Rc′, —OC(═O)Rc, —C(═NORc)NRaRb, —CRc(═NNRaRb), —C(═O)NRaRb or —C(═O)Rc; in which Ra, Rb and Rc are as defined in the description; X is halogen, alkyl, alkoxy or haloalkyl; and m is an integer from 1 to 5; processes for preparing these compounds, compositions comprising them and their use for controlling harmful fungi are described.

  5-苯基嘧啶的制备，包含它们的组合物以及它们的用途5-苯基嘧啶的化学式I中，取代基和指数定义如下：R1，R2为氢，烷基，卤代烷基，环烷基，卤代环烷基，烯基，卤代烯基，炔基或卤代炔基，R1和R2与它们附着的氮原子一起也可以形成一个饱和或不饱和环，该环可能被醚，硫醚，亚砜或磺酰基中断，并且可以被一个到四个Ra和/或Rb基团取代；R3为氢，卤素，氰基，烷基，卤代烷基，烷氧基，卤代烷氧基或烯氧基；R4为氢，卤素，氰基，羟基，巯基，叠氮基，烷基，烯基，炔基，卤代烷基，烷氧基，烯氧基，炔氧基，卤代烷氧基，烷硫基，烯硫基，炔硫基，卤代烷硫基，-ON═CRaRb，-CRc═NORa，-NRcN═CRaRb，-NRaRb，-NRcNRaRb，-NORa，-NRcC（═NRc'）NRaRb，-NRcC（═O）NRaRb，-NRaC（═O）Rc，-NRaC（═NORc）Rc'，-OC（═O）Rc，-C（═NORc）NRaRb，-CRc（═NNRaRb），-C（═O）NRaRb或-C（═O）Rc；其中Ra，Rb和Rc的定义如说明中所述；X为卤素，烷基，烷氧基或卤代烷基；m为1到5的整数；描述了制备这些化合物的方法，包含它们的组合物以及它们用于控制有害真菌的用途。