5-methyl-6-(2-chloro-4-(aminothiocarbonyl)-phenyl)-7-(2-methylbut-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine | 871842-73-8

• 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: 5-methyl-6-(2-chloro-4-(aminothiocarbonyl)-phenyl)-7-(2-methylbut-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
• 英文别名: 5-Methyl-6-(2-chloro-4-(aminothiocarbonyl)phenyl)-7-(2-methylbut-1-yl)-[1,2,4]-triazolo[1,5-a]pyrimidine；3-chloro-4-[5-methyl-7-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzenecarbothioamide
• CAS: 871842-73-8
• 化学式: C₁₈H₂₀ClN₅S
• 分子量: 373.909
• InChiKey: VGLLTQVOMPODHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-methyl-6-(2-chloro-4-cyanophenyl)-7-(2-methylbut-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine 在 吡啶 、 硫化氢 作用下， 反应 63.0h， 以80%的产率得到5-methyl-6-(2-chloro-4-(aminothiocarbonyl)-phenyl)-7-(2-methylbut-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
  参考文献：
  名称：

  [DE] 1, 2, 4-TRIAZOLO[1,5a]PYRIMIDINE UND DEREN VERWENDUNG ZUR BEKÄMPFUNG VON PFLANZEN-PATHOGENEN PILZEN
  [EN] 1, 2, 4-TRIAZOLO[1,5A]PYRIMIDINES AND USE THEREOF FOR CONTROLLING PLANT-PATHOGENIC FUNGI
  [FR] 1, 2, 4-TRIAZOLO[1,5A]PYRIMIDINES ET LEUR UTILISATION POUR LUTTER CONTRE DES CHAMPIGNONS PATHOGENES DES PLANTES

  摘要：

  公开号：

  WO2005121146A3

文献信息

• 1,2,4-Triazolo[1,5a] Pyrimidines and Use Thereof for Controlling Plant-Pathogenic Fungi
  申请人：Blettner Carsten

  公开号：US20070249633A1

  公开（公告）日：2007-10-25

  The invention relates to triazolopyrimidines of the formula I in which the index n and the substituents R, R 1 , R 2 and X are as defined below: X is nitro, a group —C(S)NR 3 R 4 , a group —C(═N—OR 5 )(NR 6 R 7 ) or a group —C(═N—NR 8 R 9 )(NR 10 R 11 ), R is halogen, cyano, hydroxyl, cyanato, alkyl, alkenyl, alkynyl, haloalkyl, haloalkenyl, alkoxy, alkenyloxy, alkynyloxy, haloalkoxy, cycloalkyl, cycloalkenyl, cycloalkoxy, alkoxycarbonyl, alkenyloxycarbonyl, alkynyloxycarbonyl, aminocarbonyl, alkylaminocarbonyl, dialkylaminocarbonyl, alkoximinoalkyl, alkenyloximinocarbonyl, alkynyloximinoalkyl, alkylcarbonyl, alkenylcarbonyl, alkynylcarbonyl, cycloalkylcarbonyl, or a five- to ten-membered saturated, partially unsaturated or aromatic heterocycle which contains one, two, three or four heteroatoms from the group consisting of O, N or S; R 1 is alkyl in which one carbon atom may be replaced by a silicon atom, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, phenyl, naphthyl, or a five- to ten-membered saturated, partially unsaturated or aromatic heterocycle which is attached via a carbon atom and which contains one, two, three or four heteroatoms, independently of one another selected from the group consisting of O, N and S, as ring members; where R 1 may be substituted as defined in the description; R 2 is alkyl, alkenyl or alkynyl which may be substituted as defined in the description; R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 and R 11 are, independently of one another, selected from the group consisting of hydrogen, alkyl, cycloalkyl, alkenyl or alkynyl, where the 4 lastmentioned radicals may be substituted as defined in the description; or R 3 and R 4 , R 6 and R 7 , R 8 and R 9 and/or R 10 and R 11 together with the nitrogen atom to which they are attached form a four-, five- or six-membered saturated or partially unsaturated ring which may be substituted as defined in the description; and n is 0 or an integer 1, 2, 3 or 4; and the agriculturally acceptable salts thereof, to crop protection compositions comprising at least one compound of the formula I and/or an agriculturally acceptable salt thereof and at least one liquid or solid carrier and to a method for controlling phytopathogenic harmful fungi.

  本发明涉及式I的三唑嘧啶，其中指数n和取代基R、R1、R2和X的定义如下：X为硝基、基团—C(S)NR3R4、基团—C(═N—OR5)(NR6R7)或基团—C(═N—NR8R9)(NR10R11)；R为卤素、氰基、羟基、氰酸基、烷基、烯基、炔基、卤代烷基、卤代烯基、烷氧基、烯氧基、炔氧基、卤代烷氧基、环烷基、环烯基、环烷氧基、烷氧羰基、烯氧羰基、炔氧羰基、氨基羰基、烷基氨基羰基、二烷基氨基羰基、烷氧基亚胺基烷基、烯氧基亚胺羰基烷基、炔氧基亚胺羰基烷基、烷基羰基、烯基羰基、炔基羰基、环烷基羰基或含有O、N或S中的一种、两种、三种或四种异构元素的五至十元环饱和、部分不饱和或芳香杂环；R1为烷基，其中一个碳原子可以被硅原子取代，烯基、炔基、环烷基、环烯基、苯基、萘基或通过碳原子连接的含有一种、两种、三种或四种异构元素（独立于环成员）的五至十元环饱和、部分不饱和或芳香杂环；其中R1可以按描述中的定义被取代；R2为烷基、烯基或炔基，可以按描述中的定义被取代；R3、R4、R5、R6、R7、R8、R9、R10和R11独立于彼此，从氢、烷基、环烷基、烯基或炔基中选择，其中最后四个基团可以按描述中的定义被取代；或R3和R4、R6和R7、R8和R9和/或R10和R11与它们连接的氮原子一起形成四元、五元或六元饱和或部分不饱和环，可以按描述中的定义被取代；n为0或整数1、2、3或4；以及其农业上可接受的盐，用于包含式I的至少一种化合物和/或其农业上可接受的盐和至少一种液体或固体载体的作物保护组合物，以及用于控制植物病原真菌的方法。
• 1, 2, 4-TRIAZOLO[1,5A]PYRIMIDINE UND DEREN VERWENDUNG ZUR BEKÄMPFUNG VON PFLANZEN-PATHOGENEN PILZEN
  申请人：BASF Aktiengesellschaft

  公开号：EP1758906A2

  公开（公告）日：2007-03-07