N-pyridin-3-yl-5-trifluoromethylnicotinamide | 1365639-28-6

• 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: N-pyridin-3-yl-5-trifluoromethylnicotinamide
• 英文别名: N-Pyridin-3-yl-5-trifluoromethylnicotinamide；N-pyridin-3-yl-5-(trifluoromethyl)pyridine-3-carboxamide
• CAS: 1365639-28-6
• 化学式: C₁₂H₈F₃N₃O
• 分子量: 267.21
• InChiKey: WMAJHPXQAAEHTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  54.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-氨基吡啶 、 5-三氟甲基烟酸 在 1-羟基苯并三唑 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以33%的产率得到N-pyridin-3-yl-5-trifluoromethylnicotinamide
  参考文献：
  名称：

  Pyridine Compounds for Controlling Invertebrate Pests III

  摘要：

  本发明涉及一种使用I或II式的吡啶化合物及其盐、互变异构体、N-氧化物及其互变异构体或N-氧化物的盐，来控制无脊椎动物害虫，特别是节肢动物害虫和线虫的方法，其中基团A的式子为A，其中#表示与I或II式余下部分的连接点，且A1为N或C—RA1，A2为N或C—RA2，A3为N或C—RA3，A4为N或C—RA4，A5为N或C—RA5，前提是A1、A2、A3、A4或A5中的一个或两个是N；RA1、RA5（如果存在）为H、卤素、CN、NO2、C1-C6烷基、C1-C6卤代烷基等；RA2、RA4（如果存在）为H、卤素、CN、NO2、C1-C10烷基、C1-C10卤代烷基等；RA3（如果存在）为H、卤素、CN、NO2、C1-C10烷基、C1-C10卤代烷基等；R1为H、CN、C1-C10烷基、C1-C10卤代烷基等；R2为H、卤素、甲基、C1卤代烷基等；R3为H、卤素、C1-C4烷基、C1-C3卤代烷基等；X1为S、O或NR1a，其中R1a为H、C1-C10烷基等；X2为OR2a、NR2bR2c或S（O）mR2d，其中m为0、1或2，R2a为C1-C4烷基、C1-C4卤代烷基等，R2b和R2c为H、C1-C4烷基、C1-C4卤代烷基等，或者R2b和R2c与它们所连接的氮原子形成杂环，R2d为C1-C4烷基、C1-C4卤代烷基、C3-C6环烷基等。本发明还涉及一种保护植物繁殖材料和/或由其生长的植物的方法，包括至少一种I或II式化合物，它们的盐或N-氧化物，以及至少一种I或II式化合物、它们的盐或N-氧化物的农业组合物。

  公开号：

  US20130180014A1

文献信息

• PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III
  申请人：BASF SE

  公开号：EP2615917A2

  公开（公告）日：2013-07-24
• [EN] PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III<br/>[FR] COMPOSÉS DE PYRIDINE POUR LA LUTTE CONTRE LES NUISIBLES INVERTÉBRÉS
  申请人：BASF SE

  公开号：WO2012034959A2

  公开（公告）日：2012-03-22

  The present invention relates to a method for controlling invertebrate pests, in particular arthropod pests and nematodes, by using pyridine compounds of formulae (I) or (II) and the salts thereof, the tautomers thereof, the N-oxides thereof and the salts of the tautomers or N-oxides thereof, where the radical A is of the formula (A), wherein # denotes the point of attachment to the remainder of formulae (I) or (II), and wherein A1 is N or C-RA1, A2 is N or C-RA2, A3 is N or C-RA3, A4 is N or C-RA4 and A5 is N or C-RA5, provided that one or two of the variables A1, A2, A3, A4 or A5 is N; RA1, RA5, if present, are H, halogen, CN, NO2, C1-C6-alkyl, C1-C6-haloalkyl and the like; RA2, RA4, if present, are H, halogen, CN, NO2, C1-C10-alkyl, C1-C10-haloalkyl and the like; RA3, if present, is H, halogen, CN, NO2, C1-C10-alkyl, C1-C10-haloalkyl and the like; R1 is H, CN, C1-C10- alkyl, C1-C10-haloalkyl and the like; R2 is H, halogen, methyl, C1-haloalkyl and the like; R3 is H, halogen, C1-C4-alkyl, C1-C3-haloalkyl and the like; X1 is S, O or NR1a, wherein R1a is H, C1-C10-alkyl and the like; X2 is OR2a, NR2bR2c or S(O)mR2d, wherein m is 0, 1 or 2, R2a is C1-C4-alkyl, C1-C4-haloalkyl and the like, R2b and R2c are H, C1-C4-alkyl, C1-C4- haloalkyl and the like, or R2b and R2c together with the nitrogen atom to which they are bound form a heterocycle, and R2d is C1-C4-alkyl, C1-C4-haloalkyl, C3-C6-cycloalkyl and the like. The present invention further relates to a method for protecting plant propagation material and/or the plants which grow therefrom, to plant propagation material, comprising at least one compound of formulae (I) or (II), their salts or N-oxides, and to an agricultural composition containing at least one compound of formulae (I) or (II), their salts or N-oxides.
• Pyridine Compounds for Controlling Invertebrate Pests III
  申请人：Soergel Sebastian

  公开号：US20130180014A1

  公开（公告）日：2013-07-11

  The present invention relates to a method for controlling invertebrate pests, in particular arthropod pests and nematodes, by using pyridine compounds of formulae I or II and the salts thereof, the tautomers thereof, the N-oxides thereof and the salts of the tautomers or N-oxides thereof, where the radical A is of the formula A, wherein # denotes the point of attachment to the remainder of formulae I or II, and wherein A 1 is N or C—R A1 , A 2 is N or C—R A2 , A 3 is N or C—R A3 , A 4 is N or C—R A4 and A 5 is N or C—R A5 , provided that one or two of the variables A 1 , A 2 , A 3 , A 4 or A 5 is N; R A1 , R A5 , if present, are H, halogen, CN, NO 2 , C 1 -C 6 -alkyl, C 1 -C 6 -haloalkyl and the like; R A2 , R A4 , if present, are H, halogen, CN, NO 2 , C 1 -C 10 -alkyl, C 1 -C 10 -haloalkyl and the like; R A3 , if present, is H, halogen, CN, NO 2 , C 1 -C 10 -alkyl, C 1 -C 10 -haloalkyl and the like; R 1 is H, CN, C 1 -C 10 -alkyl, C 1 -C 10 -haloalkyl and the like; R 2 is H, halogen, methyl, C 1 -haloalkyl and the like; R 3 is H, halogen, C 1 -C 4 -alkyl, C 1 -C 3 -haloalkyl and the like; X 1 is S, O or NR 1a , wherein R 1a is H, C 1 -C 10 -alkyl and the like; X 2 is OR 2a , NR 2b R 2c or S(O) m R 2d , wherein m is 0, 1 or 2, R 2a is C 1 -C 4 -alkyl, C 1 -C 4 -haloalkyl and the like, R 2b and R 2c are H, C 1 -C 4 -alkyl, C 1 -C 4 -haloalkyl and the like, or R 2b and R 2c together with the nitrogen atom to which they are bound form a heterocycle, and R 2d is C 1 -C 4 -alkyl, C 1 -C 4 -haloalkyl, C 3 -C 6 -cycloalkyl and the like. The present invention further relates to a method for protecting plant propagation material and/or the plants which grow therefrom, to plant propagation material, comprising at least one compound of formulae I or II, their salts or N-oxides, and to an agricultural composition containing at least one compound of formulae I or II, their salts or N-oxides.

  本发明涉及一种使用I或II式的吡啶化合物及其盐、互变异构体、N-氧化物及其互变异构体或N-氧化物的盐，来控制无脊椎动物害虫，特别是节肢动物害虫和线虫的方法，其中基团A的式子为A，其中#表示与I或II式余下部分的连接点，且A1为N或C—RA1，A2为N或C—RA2，A3为N或C—RA3，A4为N或C—RA4，A5为N或C—RA5，前提是A1、A2、A3、A4或A5中的一个或两个是N；RA1、RA5（如果存在）为H、卤素、CN、NO2、C1-C6烷基、C1-C6卤代烷基等；RA2、RA4（如果存在）为H、卤素、CN、NO2、C1-C10烷基、C1-C10卤代烷基等；RA3（如果存在）为H、卤素、CN、NO2、C1-C10烷基、C1-C10卤代烷基等；R1为H、CN、C1-C10烷基、C1-C10卤代烷基等；R2为H、卤素、甲基、C1卤代烷基等；R3为H、卤素、C1-C4烷基、C1-C3卤代烷基等；X1为S、O或NR1a，其中R1a为H、C1-C10烷基等；X2为OR2a、NR2bR2c或S（O）mR2d，其中m为0、1或2，R2a为C1-C4烷基、C1-C4卤代烷基等，R2b和R2c为H、C1-C4烷基、C1-C4卤代烷基等，或者R2b和R2c与它们所连接的氮原子形成杂环，R2d为C1-C4烷基、C1-C4卤代烷基、C3-C6环烷基等。本发明还涉及一种保护植物繁殖材料和/或由其生长的植物的方法，包括至少一种I或II式化合物，它们的盐或N-氧化物，以及至少一种I或II式化合物、它们的盐或N-氧化物的农业组合物。