4,5-bis(2,6-diethylphenylimino)pyrenylidene | 1443058-49-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 4,5-bis(2,6-diethylphenylimino)pyrenylidene
• 英文别名: 4-N,5-N-bis(2,6-diethylphenyl)pyrene-4,5-diimine
• CAS: 1443058-49-8
• 化学式: C₃₆H₃₄N₂
• 分子量: 494.679
• InChiKey: CAWIUEVHXDPRRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.4
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  双(乙腈)氯化钯(II) 、 4,5-bis(2,6-diethylphenylimino)pyrenylidene 以 二氯甲烷 为溶剂， 反应 12.0h， 以17.2%的产率得到
  参考文献：
  名称：

  Dichloropalladium complexes ligated by 4,5-bis(arylimino)pyrenylidenes: Synthesis, characterization, and catalytic behavior towards Heck-reaction

  摘要：

  A series of 4,5-bis(arylimino)pyrenylidenylpalladium(II) chloride complexes (C1-C4) were synthesized and characterized by FT-IR and NMR spectroscopy, elemental analysis as well as by single crystal X-ray diffraction for the representative complexes C1 and C3, which revealed a square planar geometry at the palladium center. All palladium complexes exhibited high activity for the Heck cross-coupling reaction, which were effective when conducted in various solvents. Furthermore, the in-situ mixture of palladium dichloride and the ligand (L1) provided an effective catalytic system for the Heck-reaction. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.08.006
• 作为产物：
  描述：

  2,6-二乙基苯胺 、 芘-4,5-二酮 在 四氯化钛 、 三乙胺 作用下， 以 甲苯 为溶剂， 反应 0.5h， 以9.24%的产率得到4,5-bis(2,6-diethylphenylimino)pyrenylidene
  参考文献：
  名称：

  带有4,5-双（芳基）吡咯烷酮的 镍（ii）配合物：合成，表征和乙烯聚合行为†

  摘要：

  合成并表征了一系列带有4,5-双（芳基）吡咯烷酮NiX 2（2,6-R 1 -4-R 2 C 6 H 2 N）2 C 16 H 8的镍（II）二卤化物配合物。通过FT-IR光谱，元素分析和有机化合物（L2和L3）和镍配合物（C1和C2）的单晶X射线衍射。的分子结构C1（R 1 =我，R 2 = H，X = Br）和C2（R 1 = R2 = Me，X = Br）在镍中心周围显示出扭曲的四面体几何形状。经助催化剂MAO，EASC和MMAO处理后，所有镍预催化剂均表现出很高的乙烯聚合活性（高达4.42×10 6 g（PE）mol（Ni） -1 h -1）。具有高支化度（每1000个碳最多可分支130个）和窄分子量分布的聚乙烯产品。研究了反应参数和配体性质对标题镍配合物催化行为的影响。

  DOI：

  10.1039/c2dt32343e

文献信息

• Nickel(<scp>ii</scp>) complexes bearing 4,5-bis(arylimino)pyrenylidenes: synthesis, characterization, and ethylenepolymerization behaviour
  作者：Kuifeng Song、Wenhong Yang、Baixiang Li、Qingbin Liu、Carl Redshaw、Yuesheng Li、Wen-Hua Sun

  DOI：10.1039/c2dt32343e

  日期：——

  A series of nickel(II) dihalides complexes bearing 4,5-bis(arylimino)pyrenylidenes, NiX2(2,6-R1-4-R2C6H2N)2C16H8, was synthesized and characterized by FT-IR spectroscopy, elemental analysis, and single crystal X-ray diffraction for the organic compounds (L2 and L3) and the nickel complexes (C1 and C2). The molecular structures of C1 (R1 = Me, R2 = H, X = Br) and C2 (R1 = R2 = Me, X = Br) revealed a

  合成并表征了一系列带有4,5-双（芳基）吡咯烷酮NiX 2（2,6-R 1 -4-R 2 C 6 H 2 N）2 C 16 H 8的镍（II）二卤化物配合物。通过FT-IR光谱，元素分析和有机化合物（L2和L3）和镍配合物（C1和C2）的单晶X射线衍射。的分子结构C1（R 1 =我，R 2 = H，X = Br）和C2（R 1 = R2 = Me，X = Br）在镍中心周围显示出扭曲的四面体几何形状。经助催化剂MAO，EASC和MMAO处理后，所有镍预催化剂均表现出很高的乙烯聚合活性（高达4.42×10 6 g（PE）mol（Ni） -1 h -1）。具有高支化度（每1000个碳最多可分支130个）和窄分子量分布的聚乙烯产品。研究了反应参数和配体性质对标题镍配合物催化行为的影响。
• Dichloropalladium complexes ligated by 4,5-bis(arylimino)pyrenylidenes: Synthesis, characterization, and catalytic behavior towards Heck-reaction
  作者：Kuifeng Song、Shaoliang Kong、Qingbin Liu、Wen-Hua Sun、Carl Redshaw

  DOI：10.1016/j.jorganchem.2013.08.006

  日期：2014.2

  A series of 4,5-bis(arylimino)pyrenylidenylpalladium(II) chloride complexes (C1-C4) were synthesized and characterized by FT-IR and NMR spectroscopy, elemental analysis as well as by single crystal X-ray diffraction for the representative complexes C1 and C3, which revealed a square planar geometry at the palladium center. All palladium complexes exhibited high activity for the Heck cross-coupling reaction, which were effective when conducted in various solvents. Furthermore, the in-situ mixture of palladium dichloride and the ligand (L1) provided an effective catalytic system for the Heck-reaction. (C) 2013 Elsevier B.V. All rights reserved.