[PdI₂(1,10-phenantrholine)] | 41876-12-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: [PdI₂(1,10-phenantrholine)]
• 英文别名: [PdI₂(phen)]；(phen)PdI₂；(1,10-phenanthroline)PdI₂；palladium(2+);1,10-phenanthroline;diiodide
• CAS: 41876-12-4
• 化学式: C₁₂H₈I₂N₂Pd
• 分子量: 540.438
• InChiKey: UEIZTCAJHHNHMX-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -3.21
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [PdI₂(1,10-phenantrholine)] 、 silver nitrate 在 乳酸 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 120.0h， 生成 {Pd(1,10-phenanthroline)2}(NO3)2
  参考文献：
  名称：

  Structural features of palladium(II) complexes with α-hydroxycarboxylate and aromatic α,α′-diimine ligands

  摘要：

  The neutral alpha-hydroxycarboxylate complexes [Pd(hPY)(GLYO)]center dot 3H(2)O (1), [Pd(bpy)(MANO)]center dot 4H(2)O (2) and [Pd(GLYO)(phen)]center dot 5H(2)O (3), together with the palladium(II) complexes [Pd(phen)(2)](NO3)(2) (4) and [Pd(CH2COCH3)(bPy)(Cl)] (5) (where GLYO and MANO are the glycolate and mandelate dianions, respectively, and bpy and phen, 2,2'-bipyridine and 1,10-phenantrholine, respectively), have been prepared by reaction of [Pd(bpy)Cl-2] or [PdI2(phen)] with salts of alpha-hydroxycarboxylic acids in water. These compounds were characterized by elemental analysis, mass spectrometry, H-1 and C-13 NMR, UV-Vis, IR spectroscopy, TG analysis and single crystal X-ray diffraction. The aforementioned studies confirmed the formation of a variety of square-planar mononuclear compounds (1-3) where the alpha,alpha '-diimine ligands exhibit a rather simple bidentate chelating role and the alpha-hydroxycarboxylate ligands are dianionic. A variety of ligand distortions, hydrogen-bonding and stacking interactions were found and these were thoroughly analyzed. In compounds 1 and 3, the complex molecules are stacked in such a way that the coordination planes are parallel to one another. The Pd center dot center dot center dot Pd distances between the nearest stacked neighbors are 3.8043(6) and 3302(2)/3.475(1)angstrom, respectively. Compounds 1-3 have been tested in vitro for cytotoxicity on HeLa-299 human tumor cell lines. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.11.048
• 作为产物：
  描述：

  二氯(1,10-亚铁试剂)钯(II) 、 lithium iodide 以 N,N-二甲基甲酰胺 为溶剂， 生成 [PdI₂(1,10-phenantrholine)]
  参考文献：
  名称：

  5-取代的1,10-菲咯啉二氯钯（II）配合物中氯的置换动力学

  摘要：

  配合物中[Pd（L–L）Cl 2 ]（L–L = 1,10 ）中亲核试剂Br –，I –，SCN –和SC（NH 2）2取代第一氯的速率常数。-邻菲咯啉，5-氯-1,10-菲咯啉，5-硝基-1,10-菲咯啉或5-甲基-1,10-菲咯啉已在25°C的二甲基甲酰胺中测定。速率常数以及复合物的识别能力随着不可替代配体L–L的p K a的降低而增加。

  DOI：

  10.1039/dt9800002044

文献信息

• Synthesis and Solid State and Solution Characterization of Mono- and Di-(η¹-C) Carbamoyl−Palladium Complexes. New Efficient Palladium-Catalyzed Routes to Carbamoyl Chlorides:  Key Intermediates to Isocyanates, Carbamic Esters, and Ureas
  作者：Michele Aresta、Potenzo Giannoccaro、Immacolata Tommasi、Angela Dibenedetto、Anna Maria Manotti Lanfredi、Franco Ugozzoli

  DOI：10.1021/om000198w

  日期：2000.9.1

  Pd complexes have been used in catalytic conversion of primary and secondary amines into isocyanates or carbamoyl chlorides, respectively. The latter have been used as intermediates for the synthesis of carbamates and ureas. The palladium-based catalytic system is very active and operates in two steps, avoiding the synthesis of phosgene (COCl2), but making use of CO and Cl2 as in phosgene chemistry

  Pd络合物已分别用于将伯胺和仲胺催化转化为异氰酸酯或氨基甲酰氯。后者已用作合成氨基甲酸酯和脲的中间体。钯基催化系统非常活跃，分两步运行，避免了光气（COCl 2）的合成，但在光气化学中却使用了CO和Cl 2。在第一步中，钯（II）络合物PdCl 2 L 2 [L 2 = 2,2'二吡啶（dipy）或1,10-菲咯啉（phen）；L =三苯基膦（PPh 3）]与胺[NH 2 R，R = n -C 3 H 7（a），n -C 4 H 9（b），n -C 5 H 11（c）；NHRR' ， NRR'= CH 2（CH 2）4 N（d），CH 2（CH 2 OCH 2）CH 2 N（e）]和CO生成氨基甲酰基复合物PdCl（CONHR）L 2和PdCl （2 - X）（CONRR'）X大号2（X = 1，2）。当伯胺为NH使用2 R，（a，b和c），仅单氨基甲酰基络合物[PdCl（CONHR）（dipy）（1a
• Synthesis of 2-Alkynoates by Palladium(II)-Catalyzed Oxidative Carbonylation of Terminal Alkynes and Alcohols
  作者：Qun Cao、N. Louise Hughes、Mark J. Muldoon

  DOI：10.1002/chem.201602558

  日期：2016.8.16

  PdII catalyst, utilizing a simple and inexpensive amine ligand (TMEDA), allows 2‐alkynoates to be prepared in high yields by an oxidative carbonylation of terminal alkynes and alcohols. The catalyst system overcomes many of the limitations of previous palladium carbonylation catalysts. It has an increased substrate scope, avoids large excesses of alcohol substrate and uses a desirable solvent. The catalyst

  均相 Pd II催化剂利用简单且廉价的胺配体 (TMEDA)，可以通过末端炔烃和醇的氧化羰基化以高产率制备 2-炔酸酯。该催化剂体系克服了以往钯羰基化催化剂的许多局限性。它具有更大的底物范围，避免大量过量的醇底物并使用理想的溶剂。该催化剂采用氧气作为终端氧化剂，可以在更安全的气体混合物下运行。