6-(5,6-diethyl-[1,2,4]triazin-3-yl)-4-methoxy-[2,2']bipyridinyl | 748803-46-5

• 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: 6-(5,6-diethyl-[1,2,4]triazin-3-yl)-4-methoxy-[2,2']bipyridinyl
• 英文别名: diethyl methoxy hemi BTP；5,6-Diethyl-3-(4-methoxy-6-pyridin-2-ylpyridin-2-yl)-1,2,4-triazine
• CAS: 748803-46-5
• 化学式: C₁₈H₁₉N₅O
• 分子量: 321.382
• InChiKey: GOHPPOSLEIONSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  73.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  iron(II) chloride tetrahydrate 、 6-(5,6-diethyl-[1,2,4]triazin-3-yl)-4-methoxy-[2,2']bipyridinyl 、 sodium perchlorate 以 乙醇 、 水 为溶剂， 以91%的产率得到[Fe(diethyl methoxy hemi BTP)2](ClO4)2*0.5H2O
  参考文献：
  名称：

  Synthesis, structure, and redox states of homoleptic d-block metal complexes with bis-1,2,4-triazin-3-yl-pyridine and 1,2,4-triazin-3-yl-bipyridine extractants

  摘要：

  it has been established that triazinyl bipyridines (hemi-BTPs) and bis-triazinyl pyridines (BTPs), ligands which are currently being investigated as possible ligands for the separation of actinides from lanthanides in nuclear waste, are able to form homoleptic complexes with first row transition metals such as cobalt(IT), copper(II), iron(II), manganese(II), nickel(II) and zinc(II). The metal complexes exhibit six-co-ordinate octahedral structures and redox states largely analogous to those of the related terpyridine complexes. The reactivity of the different redox states of cobalt bis-hemi-BTP complex in aqueous environments has been studied with two-phase electrochemistry by immobilisation of the essentially water-insoluble metal complexes on graphite electrodes and the immersion of this modified electrode in an aqueous electrolyte.It was found that redox potentials for the metal-centred reactions were pH-independent whereas the potentials for the ligand-centred reactions were strongly pH-dependent. The reductive degradation of these complexes has been investigated by computational methods. Solvent extraction experiments have been carried out for a range of metals and these show that cobalt(II) and nickel(II) as well as palladium(II), cadmium(II) and lead(II) were all extracted with the ligands 1e and 2c with higher distribution ratios that was observed for americium(III) under the same conditions. The implications of this result for the use of these ligands to separate actinides from nuclear waste are discussed. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.09.030

文献信息

• 3-(Pyridin-2-Yl)-[1,2,4]-Triazines as Fungicides
  申请人：Grammenos Wassilios

  公开号：US20090111692A1

  公开（公告）日：2009-04-30

  The invention relates to 3-(pyridin-2-yl)-[1,2,4]-triazines of formula (I) and their use in the control of parasitic fungi and to herbicides that contain said compounds as an effective ingredient thereof. In formula (I), R 1 , R 2 independently represent OH, halogen, NO 2 , NH 2 , C 1 -C 8 alkyl, C 1 -C 8 alkoxy, C 1 -C 8 halogenalkyl, C 1 -C 8 halogenalkoxy, C 1 -C 8 alkylamino or di(C 1 -C 8 alkyl)amino, or they form, together with the C atoms to which they are bound, a saturated five-, six- or seven-membered carbocycle or heterocycle, which, in addition to the carbon ring members, has one or two heteroatoms selected from oxygen or sulfur as the ring members, the carbocycle and the heterocycle being unsubstituted or having 1, 2, 3 or 4 C 1 -C 4 alkyl groups as the substituents; R 3 represents hydrogen, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 halogenalkyl, C 1 -C 4 halogenalkoxy, C 3 -C 6 cycloalkyl, C 3 -C 6 cycloalkylmethyl, or halogen; R 4 represents hydrogen, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 halogenalkyl, C 1 -C 4 halogenalkoxy or halogen; R 5 represents C 1 -C 8 alkyl, C 1 -C 8 halogenalkyl, C 1 -C 8 alkoxy, C 1 -C 8 halogenalkoxy, C 3 -C 8 cycloalkyl, C 3 -C 8 cycloalkyloxy, five- or six-membered heteroaryl, phenyl, phenoxy, benzyl, benzyloxy, five- or six-membered heteroarylmethyl or five- or six-membered heteroaryloxy, said cyclic groups being unsubstituted or having 1, 2, 3, 4 or 5 groups R a .

  该发明涉及式(I)的3-(吡啶-2-基)-[1,2,4]-三嗪及其在控制寄生真菌方面的用途，以及含有该化合物作为有效成分的除草剂。在式(I)中，R1、R2独立地表示OH、卤素、NO2、NH2、C1-C8烷基、C1-C8烷氧基、C1-C8卤代烷基、C1-C8卤代烷氧基、C1-C8烷基氨基或二(C1-C8烷基)氨基，或它们与其结合的C原子一起形成饱和的五、六或七元碳环或杂环，除了碳环成员外，还有一个或两个氧或硫选择作为环成员的杂原子，碳环和杂环未被取代或具有1、2、3或4个C1-C4烷基基团；R3表示氢、C1-C4烷基、C1-C4烷氧基、C1-C4卤代烷基、C1-C4卤代烷氧基、C3-C6环烷基、C3-C6环烷基甲基或卤素；R4表示氢、C1-C4烷基、C1-C4烷氧基、C1-C4卤代烷基、C1-C4卤代烷氧基或卤素；R5表示C1-C8烷基、C1-C8卤代烷基、C1-C8烷氧基、C1-C8卤代烷氧基、C3-C8环烷基、C3-C8环烷氧基、五元或六元杂芳基、苯基、苯氧基、苄基、苄氧基、五元或六元杂芳基甲基或五元或六元杂芳氧基，所述的环基未被取代或具有1、2、3、4或5个Ra基团。
• 3-(PYRIDIN-2-YL)-[1,2,4]-TRIAZINE ALS FUNGIZIDE
  申请人：BASF SE

  公开号：EP2010514B1

  公开（公告）日：2010-12-29