N-[1-pyridine-2-ylethylidene]pyridine-2-amine | 1271057-82-9

• 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-[1-pyridine-2-ylethylidene]pyridine-2-amine
• 英文别名: N,1-dipyridin-2-ylethanimine
• CAS: 1271057-82-9
• 化学式: C₁₂H₁₁N₃
• 分子量: 197.239
• InChiKey: CQYILACNMGFVJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 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：
  38.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-[1-pyridine-2-ylethylidene]pyridine-2-amine 在 甲酸 作用下， 以 1,4-二氧六环 、 乙腈 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  Pd(II)–N-heterocyclic carbene complexes of annelated ligand: Synthesis, characterization, and catalytic activity

  摘要：

  The annelated imidazolium salt 1-methyl-2-(pyridin-2-yl) imidazo[1,5-a]pyridin-4-ylium hexaflurophosphate (1 center dot HPF6) has been synthesized by via formylative cyclization of the corresponding Schiff base 2-acetylpyridyl-N-(2-pyridyl) methylamine using standard conditions followed by anion metathesis with NH4PF6. Reaction of 1 center dot HPF6 with silver oxide and palladium chloride led to the formation of the palladium complex [Pd(1)(2)Cl]PF6, 2. Subsequent reaction of 2 with AgPF6 gave the palladiumcomplex [Pd(1)(2)][PF6](2), 3. The complexes have been fully characterized by different spectroscopic techniques and finally the solid state structures of 2 and 3 have been determined by single crystal X-ray diffraction studies. The catalytic activities of 2 and 3 have been tested in the Suzuki-Miyaura coupling reactions of several activated para-functionalized aryl bromides with phenyl boronic acid to find that 2 is slightly more efficient than 3. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2015.08.025
• 作为产物：
  描述：

  2-氨基吡啶 、 2-乙酰基吡啶 以 甲苯 为溶剂， 生成 N-[1-pyridine-2-ylethylidene]pyridine-2-amine
  参考文献：
  名称：

  吡啶和嘧啶官能化的半三明治Ru（II）-N杂环卡宾配合物：合成，结构，光谱，电化学和生物学研究

  摘要：

  从其配体前体1-甲基-2-吡啶-2--2-基-2H-咪唑并[1,5 - a ]吡啶-4-合成了一组新的Ru-N-杂环碳烯（Ru-NHC）配合物1a和2a。六氟磷酸钾（1）和1-甲基-2-嘧啶-2-基-2H-咪唑并[1,5 - a ]吡啶-4-基六氟磷酸（2）。对分子进行了表征，并通过单晶X射线衍射研究了其结构。Ru中心周围的整体坐标可以描述为半三明治几何形状。在DFT分析的支持下，还评估了配合物的吸收光谱和电化学行为。将复合物应用于肺癌（A549），结肠癌（HCT116）和乳腺癌（MCF7）癌细胞，以检查其体外细胞毒性活性。

  DOI：

  10.1016/j.molstruc.2020.129822

文献信息

• Synthesis, structure and theoretical studies of Hg(II)–NH carbene complex of annulated ligand pyridinyl[1,2-a]{2-pyridylimidazol}-3-ylidene hexaflurophosphate
  作者：Tapastaru Samanta、Bidyut Kumar Rana、Gourisankar Roymahapatra、Santanab Giri、Partha Mitra、Raghavaiah Pallepogu、Pratim Kumar Chattaraj、Joydev Dinda

  DOI：10.1016/j.ica.2011.05.017

  日期：2011.9

  Experimental and theoretical studies of a new class of novel annulated imidazolium scffords 2a, 2b, 2c and their Hg(II)-NHC complexes 3a, 3b and 3c have been synthesized and characterized by different spectroscopic techniques. Molecular structures of 3a and 3b have been determined by single crystal X-ray diffraction studies. Virtual linear geometry [C-carbene-Hg-C-carbene 176.56(17)degrees] around Hg of the complex 3b is observed where as in 3a and 3c its deviate a more. DFT calculations provide geometrical parameters in conformity with the experimental values in case of 3a. The molecules prefer syn configuration over the anti due to lower energy supported by theoretical studies. Attention has given paid for theoretical calculations and comparison of 3a and 3c to observe the steric effect of -CH3 group in the scaffords where as in case of 3b the -CH3 group remain innocent. (C) 2011 Elsevier B.V. All rights reserved.
• Syntheses and structures of cobalt(III) alcoholate complexes formed by addition of a water molecule across 2-pyridyl substituted imine function
  作者：Sumanta Kumar Padhi、Rojalin Sahu、Vadivelu Manivannan

  DOI：10.1016/j.ica.2010.11.035

  日期：2011.2

  Schiff bases L1-L5 N-[1-pyridine-2-ylethylidene]pyridine-2-amine (L1), 3-methyl-N-[1-pyridine-2-ylmethylidene]pyridine-2-amine (L2), 3-methyl-N-[1-pyridine-2-ylethylidene]pyridine-2-amine (L3), 4-methyl-N-[1-pyridine-2-ylmethylidene] pyridine-2-amine (L4), 4-methyl-N-[1-pyridine-2-ylethylidene]pyridine-2-amine (L5)} were synthesized and on reaction with Co(NO3)(2)center dot 6H(2)O, complexes having the molecular formulae [Co(L1O)(2)]NO3 (1), [Co(L2O)(2)]NO3 center dot xH(2)O (2a, x = 2; 2b, x = 3), [Co(L3O)(2)]NO3 (3), [Co(L4O)(2)]NO3 center dot 4H(2)O (4), [Co(L5O)(2)]NO3 (5) were isolated from the respective imines. The salt [Co(L2O)(2)]PF6 (2c) was obtained by treating 2 with KPF6. Complexes 1-5 were formed as a result of addition of a water molecule across the imine function and the resultant alcohol binds in its deprotonated form. The alcoholate ion remained bound in a facial tridentate fashion to the low-spin cobalt(III). X-ray crystal structure determination confirmed the presence of trans-trans-trans-NANPO (A = aminopyridyl and P = pyridyl) disposition in 2a and cis-cis-trans-NANPO in 2b, 2c and 4. Water dimers in 2a, 2b, 4 and water-nitrate ion network in 2a were other notable features. (C) 2010 Elsevier B.V. All rights reserved.