1,2-Diphenyl-2-ethylimino-ethanon | 75136-52-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1,2-Diphenyl-2-ethylimino-ethanon
• 英文别名: 2-ethylimino-1,2-diphenylethanone；Et-N=C(Ph)-C(Ph)=O
• CAS: 75136-52-6
• 化学式: C₁₆H₁₅NO
• 分子量: 237.301
• InChiKey: JEIUMJQMGONBMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,2-Diphenyl-2-ethylimino-ethanon 以 甲醇 、 二氯甲烷 为溶剂， 生成 (N,N'-(acenaphthylene-1,2-diylidene)bis(2,6-dimethylbenzenamine-κN))(2-[1-(ethylimino-κN)-2-oxo-2-phenylethyl]phenyl-κC)palladium(1+) tetrafluoroborate(1-)
  参考文献：
  名称：

  带有α-二胺配体的四环化合物的合成，离子间结构及其对CO和对甲基苯乙烯的反应性

  摘要：

  四环化合物[Pd（C 6 H 4（C 6 H 5 CO）CNR）（NN）] [X]（R = Et，i Pr，2,6- i Pr 2 C 6 H 3 ; NN = bpy = 2 ，2'-联吡啶或1,4-（o， o'-二烷基芳基）-1,4-重氮杂丁-1,3-二烯; [X] -  = [BF 4 ] -或[PF 6 ] -）由二聚体[{Pd（C 6 H 4（C 6 H 5 CO）CNR）（μ- Cl）} 2 ]和NN配体合成。它们在CD中的离子结构通过19 F，1 H-HOESY实验测定2 Cl 2，并将其与从X射线单晶研究获得的固态相比较。[Pd（C 6 H 4（C 6 H 5 CO）CNR）（NN）]发现[x]配合物使CO和对甲基苯乙烯共聚，当bpy或1,4-（o，o'分别使用-（二甲基芳基）-1，4-二氮杂丁-1，3-二烯。与CO和p的反应研究了bpy衍生物的-甲基苯乙烯。分离了从CO一

  DOI：

  10.1002/hlca.200690155

文献信息

• Diffusion NMR studies on neutral and cationic square planar palladium(II) complexes
  作者：Cristiano Zuccaccia、Gianfranco Bellachioma、Gianluca Ciancaleoni、Alceo Macchioni、Daniele Zuccaccia

  DOI：10.1016/j.ica.2009.02.019

  日期：2010.2

  Diffusion NMR investigations were carried out in CD2Cl2 for a series of neutral (1-7) and cationic (8-10) square planar palladium complexes. Diffusion data were elaborated through a modified Stokes-Einstein equation that takes into account the size and shape of molecules. The hydrodynamic volume at infinite dilution of all complexes was found to be similar to the crystallographic volume and always much larger than the van der Waals volume. The self-aggregation tendency of [Pd(N,C )(N,N)][PF6] ionic complexes [(N,C) = (C6H4-(Ph)C(O)-C=N-Et); 8, (N,N) = 2,2'-bipirydine; 9, (N,N) = (2,6-(iPr)(2)-C6H3)N=C(Me)-C(Me)=N(2,6-(iPr)(2)-C6H3); 10, (N,N) = (2,6-(iPr)(2)-C6H3)N=C(R')-C(R')=N(2,6-(iPr)(2)-C6H3), R-2' = naphthalene-1,8-diyl] was investigated by performing H-1 and F-19 diffusion experiments as a function of the concentration. Clear evidence for the formation of ion triples containing two cationic units was obtained for 8, most likely due to the establishment of a weak Pd center dot center dot center dot O interaction. The tendency to form ion triples was much reduced in 9 and 10, having an increased steric hindrance in the apical positions. While 9 showed the usual tendency to afford a mixture of free ions and ion pairs, solvated ions were the predominant species in the case of 10 even at high concentration values (approaching 100 mM). (C) 2009 Elsevier B. V. All rights reserved.
• Synthesis, Interionic Structure, and Reactivity toward CO andp-Methylstyrene of Palladacyclic Compounds Bearingα-Diimine Ligands
  作者：Cristiano Zuccaccia、Gianfranco Bellachioma、Giuseppe Cardaci、Alceo Macchioni、Barbara Binotti、Carla Carfagna

  DOI：10.1002/hlca.200690155

  日期：2006.8

  Palladacyclic compounds [Pd(C6H4(C6H5CO)CNR)(NN)] [X] (R = Et, iPr, 2,6-iPr2C6H3; NN = bpy = 2,2′-bipyridine, or 1,4-(o,o′-dialkylaryl)-1,4-diazabuta-1,3-dienes; [X]− = [BF4]− or [PF6]−) were synthesized from the dimers [Pd(C6H4(C6H5CO)CNR)(μ-Cl)}2] and NN ligands. Their interionic structure in CD2Cl2 was determined by means of 19F,1H-HOESY experiments and compared with that in the solid state derived

  四环化合物[Pd（C 6 H 4（C 6 H 5 CO）CNR）（NN）] [X]（R = Et，i Pr，2,6- i Pr 2 C 6 H 3 ; NN = bpy = 2 ，2'-联吡啶或1,4-（o， o'-二烷基芳基）-1,4-重氮杂丁-1,3-二烯; [X] -  = [BF 4 ] -或[PF 6 ] -）由二聚体[Pd（C 6 H 4（C 6 H 5 CO）CNR）（μ- Cl）} 2 ]和NN配体合成。它们在CD中的离子结构通过19 F，1 H-HOESY实验测定2 Cl 2，并将其与从X射线单晶研究获得的固态相比较。[Pd（C 6 H 4（C 6 H 5 CO）CNR）（NN）]发现[x]配合物使CO和对甲基苯乙烯共聚，当bpy或1,4-（o，o'分别使用-（二甲基芳基）-1，4-二氮杂丁-1，3-二烯。与CO和p的反应研究了bpy衍生物的-甲基苯乙烯。分离了从CO一