2,6-bis(5,6-diisopropyl-1,2,4-triazin-3-yl)pyridine | 245730-61-4

• 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: 2,6-bis(5,6-diisopropyl-1,2,4-triazin-3-yl)pyridine
• 英文别名: DiPTP；3-[6-[5,6-Di(propan-2-yl)-1,2,4-triazin-3-yl]pyridin-2-yl]-5,6-di(propan-2-yl)-1,2,4-triazine
• CAS: 245730-61-4
• 化学式: C₂₃H₃₁N₇
• 分子量: 405.546
• InChiKey: KSNLHGLFFBEWEY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  90.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2,6-bis(5,6-diisopropyl-1,2,4-triazin-3-yl)pyridine 、 europium(III) nitrate hexahydrate 以 甲醇 、 硝酸 为溶剂， 生成 tris(2,6-bis(5,6-diisopropyl-1,2,4-triazin-3-yl)pyridine)europium(3+)
  参考文献：
  名称：

  Europium(III) Interaction with a Polyaza-Aromatic Extractant Studied by Time-Resolved Laser-Induced Luminescence:  A Thermodynamical Approach

  摘要：

  The 2,6-bis(5,6-dialkyl-1,2,4-triazin-3-yl)pyridines (DATPs) belong to a new family of extracting agents recently developed in the framework of nuclear fuel reprocessing. These molecules exhibit exceptional properties to separate actinides(III) from lanthanides(III) in nitric acid solutions. In a previous work, the use of electrospray ionization mass spectrometry (ESI-MS) provided data such as stoichiometries and conditional stability constants of various DATP complexes with europium and evidenced the unusual capability of DiPTP [bis(di-iso-propyltriazinyl)pyridine] ligand to form 1:3 complexes in nitric acid solution. This latter result has then been further investigated by considering DiPTP complexation features with the complete lanthanide family. Moreover, a complementary study of equilibria in solution with a non intrusive technique such as time-resolved laser-induced luminescence (TRLIL) seemed quite promising to determine thermochemical data such as enthalpy and entropy variations associated with the complexation reaction between Eu(III) and DiPTP. Furthermore, this TRLIL study may also allow ensuring that the observations made on mass spectra actually reflected the equilibrium in solution and not an intermediate state between liquid phase and gaseous phase, The investigation of europium(III) complexation with DiPTP by TRLIL described in this paper first led to highlight the exclusive formation of a 1:3 complex between europium(III) and the DiPTP ligand, specificity already pointed out by ESI-MS. Two different calculation methods, using either luminescence spectra and luminescence decay curves, have then been used to measure the conditional stability constant of the [Eu(DiPTP(3)](3+) complex. Both methods gave similar results (log beta(3)(app) = 14.3 +/- 0.6 at pH 2.8) in good agreement with the one previously reported in ESI-MS studies (log beta(3)(app) 14.0 +/- 0.6 at pH 2.8). Moreover, while considering the influence of temperature on the value of the stability constant, it was possible to estimate the enthalpy (DeltaH(beta3) = -29 +/- 3 kJ mol(-1) at pH 2.8) and entropy variations (DeltaS(beta3) = 173 +/- 10 J K-1 mol(-1) at pH 2.8) associated with the [Eu(DiPTP)(3)](3+) complex formation.

  DOI：

  10.1021/ic049311r

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