di-2-pyridylaminomethylbenzene | 26422-90-2

• 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: di-2-pyridylaminomethylbenzene
• 英文别名: bis(2-pyridyl)benzylamine；benzyldi(2-pyridyl)amine；N-benzyl-N-(pyridin-2-yl)pyridin-2-amine；N-benzyl-N-pyridin-2-ylpyridin-2-amine
• CAS: 26422-90-2
• 化学式: C₁₇H₁₅N₃
• 分子量: 261.326
• InChiKey: ILSNYJBZMLHITI-UHFFFAOYSA-N

物化性质

• 熔点：
  76.5 °C(Solv: acetone (67-64-1); water (7732-18-5))
• 沸点：
  450.1±30.0 °C(Predicted)
• 密度：
  1.181±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  29
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  di-2-pyridylaminomethylbenzene 在 高氯酸 作用下， 以 乙醇 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  Kinetics and mechanistic study of polynuclear platinum(II) polypyridyl complexes; A paradigm shift in search of new anticancer agents

  摘要：

  This paper reports on a mechanistic interaction between mononuclear and polynuclear platinum(II) complexes viz; phenyl-dichlorido-2,2'-dipyridinylaminediaquaplatinum(II) (PtC1); di-2-pyridy-laminomethylbenzenediaquaplatinum( II) (PtC2); 1,3,5-tris(2,2'dipyridylamino)-benzenehexaquaplatinum( II) (PtC3); 1,3,5-tris(2,2'dipyridylmethylamino) benzenehexaquaplatinum(II) (PtC4); and 2,4,6-tris (2,2'-dipyridylamino)-1,3,5-triazinehexaquaplatinum(II) (PtC5) with thiourea nucleophiles under pseudo-first-order conditions as a function of nucleophile concentration and temperature using stopped-flow and UV-Vis spectrophotometric techniques. The reactivity of the complexes followed the order PtC5 > PtC1 > PtC3 > PtC2 > PtC4 with thiourea (TU) as the entering nucleophile. The study demonstrates that both rigidity and flexibility has an influence on the kinetics of the complexes and governs by both steric and electronic effects. Introduction of methylene groups destroys conjugacy and lowers the acidity of the complexes. Kinetic and DFT data concur and illustrates that electron donation by methylene bridge leads to stabilization of the complexes. The study further shows that replacement of the methyne (= CH-) groups with nitrogen atoms enhances reactivity. The small positive enthalpy of activation and large negative values of entropy of activation indicate an associative mode of activation for aqua ligand substitutions and dechelation processes. (C) 2017 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2017.08.065
• 作为产物：
  描述：

  2,2'-二吡啶胺 在 potassium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 41.5h， 生成 di-2-pyridylaminomethylbenzene
  参考文献：
  名称：

  Reactivity of Bis(pyridyl)-N-alkylaminato Methylpalladium Complexes toward Ethylene: Insights from Experiment and Theory

  摘要：

  A series of novel neutral and cationic methylpalladium complexes bearing N-alkyl-2,2'-dipyridylaldiminato ligands were prepared and characterized. In the presence of ethylene, the cationic complexes were active as dimerization catalysts, producing a mixture of 1- and 2-butenes. A Pd-ethyl pi-ethylene species was identified as the catalyst resting state by low-temperature spectroscopic and DFT studies, which provided insights into the effect of both steric and electronic factors on the observed reactivity.

  DOI：

  10.1021/om5001293

文献信息

• Synthesis and characterization of ruthenium(II) complexes based on diphenyl-2-pyridylphosphine and their applications in transfer hydrogenation of ketones
  作者：Prashant Kumar、Ashish Kumar Singh、Mahendra Yadav、Pei-zhou Li、Sanjay Kumar Singh、Qiang Xu、Daya Shankar Pandey

  DOI：10.1016/j.ica.2010.12.057

  日期：2011.3

  afford cationic complexes of formulation [RuH(CO)(κ1-P-PPh2Py)2(N-N)]+ (3–8) [N-N = en, 3; dimen, 4; diap, 5; bipy, 6; phen, 7; and dpa, 8], which have been isolated as their tetrafluoroborate salts. The complexes under investigation have been characterized by elemental analyses, spectroscopic and electrochemical studies. Molecular structures of 2, 3, 6, and 8 have been determined by single crystal X-ray

  摘要钌配合物[RuH（CO）Cl（κ1-P-PPh2Py）2（PPh3）]（1）和[Ru（CO）Cl2（κ1-P-PPh2Py）（κ2-P–N-描述了含有二苯基-2-吡啶基膦（PPh2Py）的（2）。光谱和结构数据表明，PPh2Py在1中处于κ1-P键合模式，而在2中具有κ1-P和κ2-P–N键合模式。配合物1与N，N-供体碱基即乙二胺反应（ en），N，N'-二甲基-乙二胺（dimen），1,3-二氨基丙烷（diap），2,2'-联吡啶（bipy），1,10-菲咯啉（phen）和二-2-吡啶基氨基甲基苯（dpa）得到阳离子配位体[RuH（CO）（κ1-P-PPh2Py）2（NN）] +（3-8）[NN = en，3; men，4; diap，5；bipy，6岁；phen，7; 和dpa，8]，已分离出它们的四氟硼酸盐。所研究的络合物已通过元素分析，光谱学和电化学研究进行了表征。2、3、6
• The Role of an Alkyl-Phenyl Spacer on the Reactivity of Novel Platinum(II) Complexes with Thiourea Nucleophiles
  作者：Wangoli Panyako Asman、Deogratius Jaganyi

  DOI：10.1002/kin.21085

  日期：2017.8

  deals with the substitution reactions of mononuclear and dinuclear platinum(II) complexes of di‐2‐pyridylaminodiaquaplatinum(II), (Pt1); di‐2‐pyridylaminomethylbenzenediaquaplatinum(II), (Pt2); 1,2‐bis(di‐2‐pyridylaminomethyl)benzenetetraquaplatinum(II), (Pt3); 1,3‐bis(di‐2‐pyridylamino‐methyl)benzenetetraquaplatinum(II), (Pt4); and 1,4‐bis(di‐2‐pyridylaminomethyl)‐benzenetetraquaplatinum(II), (Pt5). These

  本文以论文形式提交，涉及二-2-吡啶基氨基二铂（II）（Pt1）的单核和双核铂（II）配合物的取代反应；二-2-吡啶基氨基甲基苯二铂（II）（Pt2）; 1,2-双（二-2-吡啶基氨基甲基）苯四铂（II），（Pt3）; 1,3-双（二-2-吡啶基氨基-甲基）苯四铂（II），（Pt4）; 和1,4-双（二-2-吡啶基氨基甲基）-苯四四铂（II）（Pt5）。这些反应由三个亲核试剂，即在水性络合物进行。，硫脲，Ñ，Ñ '-dimethylthiourea，和Ñ，Ñ，Ñ ' Ñ通过停止流和紫外可见分光光度法，假一阶条件下的'-四甲基硫脲是亲核试剂浓度和温度的函数。此外，还执行了一些DFT计算。激活参数支持关联替换机制。
• Silver(<scp>i</scp>) complexation of linked 2,2′-dipyridylamine derivatives. Synthetic, solvent extraction, membrane transport and X-ray structural studies
  作者：Bianca Antonioli、David J. Bray、Jack K. Clegg、Kerstin Gloe、Karsten Gloe、Olga Kataeva、Leonard F. Lindoy、John C. McMurtrie、Peter J. Steel、Christopher J. Sumby、Marco Wenzel

  DOI：10.1039/b609738c

  日期：——

  with the above ligands has led to the isolation of thirteen Ag(I) complexes, nine of which have also been characterised by X-ray diffraction. In part, the inherent flexibility of the respective ligands has resulted in the adoption of a range of coordination arrangements. A series of liquid-liquid (H(2)O/CHCl(3)) extraction experiments of Ag(I) with varying concentrations of 1-6 in the organic phase have

  2,2'-二吡啶胺衍生物二-2-吡啶基氨基甲基苯1，1,2-双（二-2-吡啶基氨基甲基）苯2，1,3-双（二-2-吡啶基氨基甲基）苯3，2,6的合成据报道-双（二-2-吡啶基氨基甲基）吡啶4、1,4-双（二-2-吡啶基氨基甲基）苯5和1,3,5-三（二-2-吡啶基氨基甲基）苯6 2、3和5的X射线晶体结构。AgX型单个盐的反应（其中X = NO（3）（-），PF（6）（-），ClO（4）（-），或具有上述配体的BF（4）（-））导致了13种Ag（I）配合物的分离，其中9种还通过X射线衍射进行了表征。各个配体的固有灵活性在某种程度上导致采用了一系列协调安排。进行了一系列液-液（H（2）O / CHCl（3））萃取有机相中1-6浓度不同的Ag（I）的实验，水相中的抗衡离子分别为苦味酸盐，高氯酸盐和硝酸盐。通常，给定离子载体的提取效率遵循霍夫迈斯特的顺序为：苦味酸>高氯酸盐>硝酸盐；在每种情况下
• Interaction of copper(II) and palladium(II) with linked 2,2′-dipyridylamine derivatives: Synthetic and structural studies
  作者：Bianca Antonioli、David J. Bray、Jack K. Clegg、Kerstin Gloe、Karsten Gloe、Anne Jäger、Katrina A. Jolliffe、Olga Kataeva、Leonard F. Lindoy、Peter J. Steel、Christopher J. Sumby、Marco Wenzel

  DOI：10.1016/j.poly.2008.06.036

  日期：2008.9

  [Cu2(4)(NO3)4], [Cu2(5)(NO3)4] · 2CH3OH, [Cu2(6)(CH3OH)2(NO3)4], [Cu4(8)](NO3)4] · 4H2O while complexation of palladium(II) with 1, 4, 5 and 6 gave [Pd(1)2](PF6)2 · 2CH3OH, [Pd2(4)Cl4], [Pd2(4)(OAc)4], [Pd2(5)Cl4], [Pd2(6)Cl4] and [Pd2(6)(OAc)4] · CH2Cl2, respectively. X-ray structures of [Cu(2)(μ-Cl)Cl]2, [Cu(3)(μ-Cl)Cl]2 · 2C2H5OH, [Cu2(6)(CH3OH)2(NO3)4], [Pd(1)2](PF6)2 · 2CH3OH, [Pd2(4)(OAc)4] · 4H2O

  铜盐与2,2'-二吡啶胺（1），N-环己基甲基-2,2'-二吡啶胺（2），二-2-吡啶基氨基甲基苯（3），1,2-双（di-2 ）的相互作用-吡啶基氨基甲基）苯（4），1,3-双（二-2-吡啶基氨基甲基）苯（5），1,4-双（二-2-吡啶基氨基甲基）苯（6），1,3,5-三（二-2-吡啶基氨基甲基）苯（7）和1,2,4,5-四（二-2-吡啶基氨基甲基）苯（8）得到以下配合物：[Cu（2）（μ-Cl）Cl] 2，[Cu（3）（μ-Cl）Cl] 2  ·H 2 O，[Cu 2（4）（NO 3）4 ]，[Cu 2（5）（NO 3）4 ]·2CH 3 OH，[Cu 2（6）（CH 3 OH）2（NO 3）4 ]，[Cu 4（8）]（NO 3）4 ]·4H 2 O的同时钯（II）与络合1，4，5和6，得到[加入Pd（1）2 ]（PF 6）2 ·2CH 3 OH，[Pd 2（4）Cl 4 ]，[Pd 2（4）（OAc）4
• Towards Selective Ethylene Tetramerization
  作者：Sebastiano Licciulli、Indira Thapa、Khalid Albahily、Ilia Korobkov、Sandro Gambarotta、Robbert Duchateau、Reynald Chevalier、Katrin Schuhen

  DOI：10.1002/anie.201003465

  日期：2010.11.22

  And the magic number is …︁ 4! A large amount of oligomer‐free 1‐octene (99.9 %) was produced from ethylene by a catalytic system based on chromium during the formation of polyethylene wax [see GC–MS chromatogram; the other three significant peaks are methanol (quenching agent), ethyl acetate (needle‐rinsing agent), and toluene (solvent)].

  魔幻数字是……︁4！在聚乙烯蜡的形成过程中，基于铬的催化体系由乙烯产生了大量的无低聚物1-辛烯（99.9％）[见GC-MS色谱图；其他三个重要峰是甲醇（淬灭剂），乙酸乙酯（针洗剂）和甲苯（溶剂）]。