3-(4-bromophenyl)-5-(2,6-difluorophenyl)-[1,2,4]triazine | 304671-99-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(4-bromophenyl)-5-(2,6-difluorophenyl)-[1,2,4]triazine
• 英文别名: 3-(4-bromophenyl)-5-(2,6-difluorophenyl)-1,2,4-triazine
• CAS: 304671-99-6
• 化学式: C₁₅H₈BrF₂N₃
• 分子量: 348.149
• InChiKey: LWJJIMJDMVVRTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(4-bromophenyl)-5-(2,6-difluorophenyl)-[1,2,4]triazine 、 4-trifluoromethoxyphenyl-boric acid 生成 5-(2,6-Difluorophenyl)-3-(4'-trifluoromethoxybiphenyl-4-yl)-[1,2,4]triazine
  参考文献：
  名称：

  Pesticidal triazine-derivatives

  摘要：

  化合物的化学式为1，其中R1是未取代或取代芳基或杂环芳基，芳基和杂环芳基环的取代基可从OH，卤素，CN，NO2，C1-C6烷基，C3-C8环烷基，C1-C6烷基-C3-C8环烷基，C3-C8环烷基-C1-C6烷基，C1-C6卤代烷基，C3-C8卤代环烷基，C1-C6烷氧基和苯基中选择；苯氧基，苯硫基，苯基氨基和苯基-(C1-C6烷基)-氨基的取代基可从卤素，CN，NO2，C1-C6烷基，C3-C8环烷基，C1-C6卤代烷基，C3-C8卤代环烷基，C1-C6烷氧基，C3-C8环烷氧基，C1-C6烷硫基，C3-C8环烷硫基，C1-C6卤代烷基硫和C3-C8卤代环烷基硫中选择；R2是H，OH，卤素，CN，NO2，C1-C6烷基或C1-C6烷氧基；A是单键，C1-C12烷基，O或O(C1-C12烷基)；R4是H，C1-C6烷基，C3-C8环烷基，C1-C6卤代烷基，C1-C6烷氧基，N(R5)2或C1-C6烷氧基-C2-C6烷基；R5是H，C1-C6烷基，C3-C8环烷基，C1-C6卤代烷基或芳基-C1-C6烷基；X1是R10；X2和X3各自独立地是H或R10；R10是卤素，CN，NO2，C1-C6烷基或C3-C8环烷基；n为0，1或2，并且它们的生理耐受性和农药可接受的加合物，必要时还包括E/Z异构体，E/Z异构体混合物和/或互变异构体，均为自由形式或盐形式。这些化合物，以自由形式或农药可接受的盐形式，表现出有利的杀虫性能。它们特别适用于农业和储存商品中害虫的控制，以及家畜的保护。

  公开号：

  US20030036544A1
• 作为产物：
  描述：

  4-bromobenzoic acid [2-(2,6-difluorophenyl)-2-oxoethylidene] hydrazide 在 乙酸铵 作用下， 以 溶剂黄146 、 乙酸乙酯 、 甲苯 为溶剂， 生成 3-(4-bromophenyl)-5-(2,6-difluorophenyl)-[1,2,4]triazine
  参考文献：
  名称：

  Pesticidal triazine-derivatives

  摘要：

  化合物的化学式为1，其中R1是未取代或取代芳基或杂环芳基，芳基和杂环芳基环的取代基可从OH，卤素，CN，NO2，C1-C6烷基，C3-C8环烷基，C1-C6烷基-C3-C8环烷基，C3-C8环烷基-C1-C6烷基，C1-C6卤代烷基，C3-C8卤代环烷基，C1-C6烷氧基和苯基中选择；苯氧基，苯硫基，苯基氨基和苯基-(C1-C6烷基)-氨基的取代基可从卤素，CN，NO2，C1-C6烷基，C3-C8环烷基，C1-C6卤代烷基，C3-C8卤代环烷基，C1-C6烷氧基，C3-C8环烷氧基，C1-C6烷硫基，C3-C8环烷硫基，C1-C6卤代烷基硫和C3-C8卤代环烷基硫中选择；R2是H，OH，卤素，CN，NO2，C1-C6烷基或C1-C6烷氧基；A是单键，C1-C12烷基，O或O(C1-C12烷基)；R4是H，C1-C6烷基，C3-C8环烷基，C1-C6卤代烷基，C1-C6烷氧基，N(R5)2或C1-C6烷氧基-C2-C6烷基；R5是H，C1-C6烷基，C3-C8环烷基，C1-C6卤代烷基或芳基-C1-C6烷基；X1是R10；X2和X3各自独立地是H或R10；R10是卤素，CN，NO2，C1-C6烷基或C3-C8环烷基；n为0，1或2，并且它们的生理耐受性和农药可接受的加合物，必要时还包括E/Z异构体，E/Z异构体混合物和/或互变异构体，均为自由形式或盐形式。这些化合物，以自由形式或农药可接受的盐形式，表现出有利的杀虫性能。它们特别适用于农业和储存商品中害虫的控制，以及家畜的保护。

  公开号：

  US20030036544A1

文献信息

• PESTICIDAL TRIAZINE DERIVATIVES
  申请人：Syngenta Participations AG

  公开号：EP1175410A1

  公开（公告）日：2002-01-30
• US6723720B2
  申请人：——

  公开号：US6723720B2

  公开（公告）日：2004-04-20
• [EN] PESTICIDAL TRIAZINE DERIVATIVES<br/>[FR] DERIVES DE TRIAZINE PESTICIDE
  申请人：NOVARTIS AG

  公开号：WO2000066568A1

  公开（公告）日：2000-11-09

  A compound of formula (I), wherein R1 is unsubstituted or substituted aryl or heteroaryl, the substituents of the aryl and heteroaryl rings being selected, for example, from the group consisting of OH, halogen, CN, NO2, C1-C6alkyl, C3-C8cycloalkyl, C1-C6alkyl-C3-C8cycloalkyl, C3-C8cycloalkyl-C1-C6alkyl, C1-C6haloalkyl, C3-C8halocycloalkyl, C1-C6alkoxy and phenyl; phenoxy; phenylthio; phenylamino; and phenyl-(C1-C6alkyl)-amino; the substituents of the phenoxy, phenylthio, phenylamino and phenyl-(C1-C6alkyl)-amino groups being selected from the group consisting of halogen, CN, NO2, C1-C6alkyl, C3-C8cycloalkyl, C1-C6haloalkyl, C3-C8halocycloalkyl, C1-C6alkoxy, C3-C8cycloalkoxy, C1-C6alkylthio, C3-C8cycloalkylthio, C1-C6haloalkylthio and C3-C8halocycloalkylthio; R2 is, for example, H, OH, halogen, CN, NO2, C1-C6alkyl or C1-C6alkoxy; A is, for example, a single bond, C1-C12alkylene, O or O(C1-C12alkylene); R4 is H, C1-C6alkyl, C3-C8cycloalkyl, C1-C6haloalkyl, C1-C6alkoxy, N(R5)2 or C1-C6alkoxy-C2-C6alkyl; R5 is H, C1-C6alkyl, C3-C8cycloalkyl, C1-C6haloalkyl or aryl-C1-C6alkyl; X1 is R10; X2 and X3 are each independently of the other H or R10; R10 is, for example, halogen, CN, NO2, C1-C6alkyl or C3-C8cycloalkyl; and n is 0, 1 or 2, and to their physiologically tolerable and agrochemically acceptable addition compounds, and where appropriate to E/Z isomers, to mixtures of E/Z isomers and/or to tautomers, in each case in free form or in salt form. The compounds, in free form or in agrochemically acceptable salt form, exhibit advantageous pesticidal properties. They are suitable especially in the control of pests in agriculture and stored goods and also in the keeping of domestic animals.
• Pesticidal triazine-derivatives
  申请人：——

  公开号：US20030036544A1

  公开（公告）日：2003-02-20

  A compound of formula 1 wherein R 1 is unsubstituted or substituted aryl or heteroaryl, the substituents of the aryl and heteroaryl rings being selected, for example, from the group consisting of OH, halogen, CN, NO 2 , C 1 -C 6 alkyl, C 3 -C 8 cycloalkyl, C 1 -C 6 alkyl-C 3 -C 8 cycloalkyl, C 3 -C 8 cycloalkyl-C 1 -C 6 alkyl, C 1 -C 6 haloalkyl, C 3 -C 8 halocycloalkyl, C 1 -C 6 alkoxy and phenyl; phenoxy; phenylthio; phenylamino; and phenyl-(C 1 -C 6 alkyl)-amino; the substituents of the phenoxy, phenylthio, phenylamino and phenyl-(C 1 -C 6 alkyl)-amino groups being selected from the group consisting of halogen, CN, NO 2 , C 1 -C 6 alkyl, C 3 -C 8 cycloalkyl, C 1 -C 6 haloalkyl, C 3 -C 8 halocycloalkyl, C 1 -C 6 alkoxy, C 3 -C 8 cycloalkoxy, C 1 -C 6 alkylthio, C 3 -C 8 cycloalkylthio, C 1 -C 6 haloalkylthio and C 3 -C 8 halocycloalkylthio; R 2 is, for example, H, OH, halogen, CN, NO 2 , C 1 -C 6 alkyl or C 1 -C 6 alkoxy; A is, for example, a single bond, C 1 -C 12 alkylene, O or O(C 1 -C 12 alkylene); R 4 is H, C 1 -C 6 alkyl, C 3 -C 8 cycloalkyl, C 1 -C 6 haloalkyl, C 1 -C 6 alkoxy, N(R 5 ) 2 or C 1 -C 6 alkoxy-C 2 -C 6 alkyl; R 5 is H, C 1 -C 6 alkyl, C 3 -C 8 cycloalkyl, C 1 -C 6 haloalkyl or aryl-C 1 -C 6 alkyl; X 1 is R 10 ; X 2 and X 3 are each independently of the other H or R 10 ; R 10 is, for example, halogen, CN, NO 2 , C 1 -C 6 alkyl or C 3 -C 8 cycloalkyl; and n is 0, 1 or 2, and to their physiologically tolerable and agrochemically acceptable addition compounds, and where appropriate to E/Z isomers, to mixtures of E/Z isomers and/or to tautomers, in each case in free form or in salt form. The compounds, in free form or in agrochemically acceptable salt form, exhibit advantageous pesticidal properties. They are suitable especially in the control of pests in agriculture and stored goods and also in the keeping of domestic animals.

  化合物的化学式为1，其中R1是未取代或取代芳基或杂环芳基，芳基和杂环芳基环的取代基可从OH，卤素，CN，NO2，C1-C6烷基，C3-C8环烷基，C1-C6烷基-C3-C8环烷基，C3-C8环烷基-C1-C6烷基，C1-C6卤代烷基，C3-C8卤代环烷基，C1-C6烷氧基和苯基中选择；苯氧基，苯硫基，苯基氨基和苯基-(C1-C6烷基)-氨基的取代基可从卤素，CN，NO2，C1-C6烷基，C3-C8环烷基，C1-C6卤代烷基，C3-C8卤代环烷基，C1-C6烷氧基，C3-C8环烷氧基，C1-C6烷硫基，C3-C8环烷硫基，C1-C6卤代烷基硫和C3-C8卤代环烷基硫中选择；R2是H，OH，卤素，CN，NO2，C1-C6烷基或C1-C6烷氧基；A是单键，C1-C12烷基，O或O(C1-C12烷基)；R4是H，C1-C6烷基，C3-C8环烷基，C1-C6卤代烷基，C1-C6烷氧基，N(R5)2或C1-C6烷氧基-C2-C6烷基；R5是H，C1-C6烷基，C3-C8环烷基，C1-C6卤代烷基或芳基-C1-C6烷基；X1是R10；X2和X3各自独立地是H或R10；R10是卤素，CN，NO2，C1-C6烷基或C3-C8环烷基；n为0，1或2，并且它们的生理耐受性和农药可接受的加合物，必要时还包括E/Z异构体，E/Z异构体混合物和/或互变异构体，均为自由形式或盐形式。这些化合物，以自由形式或农药可接受的盐形式，表现出有利的杀虫性能。它们特别适用于农业和储存商品中害虫的控制，以及家畜的保护。