N2,N6-bis(2-chloroethyl)pyridine-2,6-dicarboxaMide | 345617-16-5

• 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: N2,N6-bis(2-chloroethyl)pyridine-2,6-dicarboxaMide
• 英文别名: 2-N,6-N-bis(2-chloroethyl)pyridine-2,6-dicarboxamide
• CAS: 345617-16-5
• 化学式: C₁₁H₁₃Cl₂N₃O₂
• 分子量: 290.149
• InChiKey: QJZAOCYEAADFMR-UHFFFAOYSA-N

物化性质

• 熔点：
  154-155 °C
• 沸点：
  572.6±50.0 °C(Predicted)
• 密度：
  1.324±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  71.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N2,N6-bis(2-chloroethyl)pyridine-2,6-dicarboxaMide 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以94%的产率得到2,6-bis[4',4'-dimethyloxazolin-2'-yl]pyridine
  参考文献：
  名称：

  Ionic probe attachment ionization mass spectrometry

  摘要：

  A new ionization method that uses metal-complex-based ionization probes containing the 2,6-bis(oxazolinyl)pyridine (pybox) ligand is presented. This method was proven to effectively ionize large complex molecules, including biomolecules. The preparation of the charged probes and their application to the ionization of biomolecules using cold-spray ionization mass spectrometry are shown. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.09.021
• 作为产物：
  描述：

  N²,N⁶-bis(2-hydroxyethyl)pyridine-2,6-dicarboxamide 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以2.98 g的产率得到N2,N6-bis(2-chloroethyl)pyridine-2,6-dicarboxaMide
  参考文献：
  名称：

  Ionic probe attachment ionization mass spectrometry

  摘要：

  A new ionization method that uses metal-complex-based ionization probes containing the 2,6-bis(oxazolinyl)pyridine (pybox) ligand is presented. This method was proven to effectively ionize large complex molecules, including biomolecules. The preparation of the charged probes and their application to the ionization of biomolecules using cold-spray ionization mass spectrometry are shown. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.09.021

文献信息

• Synthesis, characterization and 1,3-butadiene polymerization studies of cobalt dichloride complexes bearing pyridine bisoxazoline ligands
  作者：Jun Guo、Baolin Wang、Jifu Bi、Chunyu Zhang、Hexin Zhang、Chenxi Bai、Yanming Hu、Xuequan Zhang

  DOI：10.1016/j.polymer.2015.01.006

  日期：2015.2

  of [CoL2]2+ can be described as distorted octahedron. In combination with ethylaluminum sesquichloride, these cobalt complexes displayed high catalytic activity and cis-1,4-selectivity towards 1,3-butadiene polymerization. The selectivity of the catalytic system can be tuned to predominantly 1,2-fashion via addition of PPh3. The effects of reaction parameters and the ligand environment on the polymerization

  成功地合成了一系列带有吡啶双恶唑啉配体的离子对钴配合物，并通过红外光谱和元素分析对其进行了表征。通过X射线晶体学分析确定，络合物4a，4b，4e和4f作为由[CoL 2 ] 2+和[CoCl 4 ] 2-组成的离子对存在。在该络合物中，钴原子被两个配体的六个氮原子配位，并且其配位几何在[CoL 2 ] 2+的钴中心可以形容为扭曲的八面体。与乙基倍半氯化铝结合使用时，这些钴配合物显示出较高的催化活性和对1,3-丁二烯聚合的顺式-1,4-选择性。催化体系的选择性可以通过添加PPh 3调整为1，2-方式。还研究了反应参数和配体环境对聚合反应的影响。
• Para-Derivatized Pybox Ligands As Sensitizers in Highly Luminescent Ln(III) Complexes
  作者：Ana de Bettencourt-Dias、Patrick S. Barber、Subha Viswanathan、Daniel T. de Lill、Alexandra Rollett、George Ling、Sultan Altun

  DOI：10.1021/ic101034y

  日期：2010.10.4

  1% and 0.44 ± 0.01 ms for Tb(III) and for PyboxBr they were 35.8 ± 1.6% and 1.46 ± 0.03 ms for Eu(III) and 23.3 ± 1.3% and a double lifetime of 0.79 ± 0.05/0.07 ± 0.01 ms for Tb(III). A linear relationship between the triplet level energies and the Hammett σ constants was found. Lifetime measurements in methanol as well as the NMR data in both methanol and acetonitrile indicate that all complexes are

  分离了在吡啶环对位用-H，-OMe和-Br衍生的吡啶-双（恶唑啉）与Eu（III）和Tb（III）的新配合物。不论配体与金属的比例如何，它们在固态时都具有高发光性。分离了几种金属配合物，并通过单晶X射线衍射对其进行了表征，显示出可以利用该配体家族获得的丰富的结构多样性。[铕（PyboxOMe）3 ]（NO 3）3 ·3CH 2氯2，1，结晶的单斜晶系空间群P 2 1 / Ñ并具有晶胞参数一个= 14.3699（10）A，b = 13.4059（9）埃，c ^ = 25.8766（18）A，β= 95.367（1）°，V = 4963.1（6）3。同构[TB（PyboxOMe）3 ]（NO 3）3 ·3CH 2氯2，2，结晶与参数一个= 14.4845（16）A，b = 13.2998（15）A，C ^ = 25.890（3）埃， β= 94.918（2）°，V = 4969.1（10）埃3
• BUTULA, I.;KARLOVIC, G.
  作者：BUTULA, I.、KARLOVIC, G.

  DOI：——

  日期：——
• Ionic probe attachment ionization mass spectrometry
  作者：Fumihiro Ito、Tomoko Nakamura、Satoko Yorita、Hiroshi Danjo、Kentaro Yamaguchi

  DOI：10.1016/j.tetlet.2009.09.021

  日期：2009.11

  A new ionization method that uses metal-complex-based ionization probes containing the 2,6-bis(oxazolinyl)pyridine (pybox) ligand is presented. This method was proven to effectively ionize large complex molecules, including biomolecules. The preparation of the charged probes and their application to the ionization of biomolecules using cold-spray ionization mass spectrometry are shown. (C) 2009 Elsevier Ltd. All rights reserved.