Pd(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline)Cl2 | 214557-72-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: Pd(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline)Cl2
• 英文别名: [PdCl2(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline)]；Dichloropalladium;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline
• CAS: 214557-72-9
• 化学式: C₂₆H₂₀Cl₂N₂Pd
• 分子量: 537.784
• InChiKey: VBMSXJHMIGWMLT-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  8.11
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Pd(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline)Cl2 、 一氧化碳 、 2,9-二甲基-4,7二苯基-1,10-菲啰啉 、 sodium methylate 以 甲醇 为溶剂， 以70%的产率得到Pd(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline)(methoxycarbonyl)2
  参考文献：
  名称：

  New palladium (substituted 1,10-phenanthroline) bis(methoxycarbonyl) complexes [Pd(L–L)(CO2CH3)2]: preparation and structural features

  摘要：

  New complexes of general formula Pd(L-L)(CO2CH3)(2) (L-L = 1,10-phenanthroline (1) under bar; 2,9-dimethyl-1,10-phenanthroline (2) under bar; 4,7-dimethyl-1,10-phenanthroline (3) under bar; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline (4) under bar, 3,4,7,8-tetramethyl-1,10-phenanthrorine (5) under bar; and 4,7-diphenyl-1,10-phenanthroline (6) under bar) were prepared either by exchange reaction between Pd(bipyridine)(CO2CH3)(2) (7) under bar and the appropriate free ligand or by reacting Pd(L-L)Cl-2 suspended in MeOH under carbon monoxide, at room temperature, in the presence of a base. The structure of (1) under bar was determined ab initio from X-ray powder diffraction data by using a simulated annealing technique and refined by the Rietveld method. (1) under bar crystallizes in the orthorhombic Pbca space group with cell parameters a = 8.0787(4), b = 16.2797(8), c = 22.843(1) Angstrom and Z = 8. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00742-6
• 作为产物：
  描述：

  二(氰基苯)二氯化钯 、 2,9-二甲基-4,7二苯基-1,10-菲啰啉 以 氯仿 为溶剂， 以86%的产率得到Pd(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline)Cl2
  参考文献：
  名称：

  A New Approach for the Detection of Ethylene Using Silica-Supported Palladium Complexes

  摘要：

  The coordination of olefins to square-planar Pd(II) and Pt(II) complexes containing 2,9-dimethylphenanthroline (L1) often involves a change of color associated with a change of geometry at the metal center. In order to obtain suitable colorimetric detectors for ethylene gas, a series of new Pd(II) and Pt(II) compounds with a range of 2,9-disubstituted phenanthroline ligands [2,9-di-n-butyl-1,10-phenanthroline (L-2), 2,9-di-s-butyl-1,10-phenanthroline (L3), 2,9-diphenyl-1,10-phenanthroline (L4), and 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline (bathocuproine, L5)] have been prepared and their reactivity toward ethylene investigated both in solution and after depositing the detector compounds on a variety of solid supports. The Pd(II) complex [PdCl2(L2)] supported on silica undergoes a clear color change upon exposure to ethylene, while remaining stable toward air and water, and forms the basis for new simple colorimetric detectors with potential applications in ethylene pipe-leak detection and the monitoring of fruit ripening. Encouragingly, the detector is able to discriminate between fruit at different stages of ripening. The response of the detector to other volatiles was also examined, and specific color changes were also observed upon exposure to aromatic acetylenes. The crystal structures of four new derivatives, including the ethylene-Pt(II) complex [PtCl2(C2H4)(L2)], are also described.

  DOI：

  10.1021/ic800986t

文献信息

• New palladium (substituted 1,10-phenanthroline) bis(methoxycarbonyl) complexes [Pd(L–L)(CO2CH3)2]: preparation and structural features
  作者：Roberto Santi、Anna Maria Romano、Rossella Garrone、Roberto Millini

  DOI：10.1016/s0022-328x(98)00742-6

  日期：1998.9

  New complexes of general formula Pd(L-L)(CO2CH3)(2) (L-L = 1,10-phenanthroline (1) under bar; 2,9-dimethyl-1,10-phenanthroline (2) under bar; 4,7-dimethyl-1,10-phenanthroline (3) under bar; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline (4) under bar, 3,4,7,8-tetramethyl-1,10-phenanthrorine (5) under bar; and 4,7-diphenyl-1,10-phenanthroline (6) under bar) were prepared either by exchange reaction between Pd(bipyridine)(CO2CH3)(2) (7) under bar and the appropriate free ligand or by reacting Pd(L-L)Cl-2 suspended in MeOH under carbon monoxide, at room temperature, in the presence of a base. The structure of (1) under bar was determined ab initio from X-ray powder diffraction data by using a simulated annealing technique and refined by the Rietveld method. (1) under bar crystallizes in the orthorhombic Pbca space group with cell parameters a = 8.0787(4), b = 16.2797(8), c = 22.843(1) Angstrom and Z = 8. (C) 1998 Elsevier Science S.A. All rights reserved.
• A New Approach for the Detection of Ethylene Using Silica-Supported Palladium Complexes
  作者：Patricia Cabanillas-Galán、Linda Farmer、Terence Hagan、Mark Nieuwenhuyzen、Stuart L. James、M. Cristina Lagunas

  DOI：10.1021/ic800986t

  日期：2008.10.6

  The coordination of olefins to square-planar Pd(II) and Pt(II) complexes containing 2,9-dimethylphenanthroline (L1) often involves a change of color associated with a change of geometry at the metal center. In order to obtain suitable colorimetric detectors for ethylene gas, a series of new Pd(II) and Pt(II) compounds with a range of 2,9-disubstituted phenanthroline ligands [2,9-di-n-butyl-1,10-phenanthroline (L-2), 2,9-di-s-butyl-1,10-phenanthroline (L3), 2,9-diphenyl-1,10-phenanthroline (L4), and 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline (bathocuproine, L5)] have been prepared and their reactivity toward ethylene investigated both in solution and after depositing the detector compounds on a variety of solid supports. The Pd(II) complex [PdCl2(L2)] supported on silica undergoes a clear color change upon exposure to ethylene, while remaining stable toward air and water, and forms the basis for new simple colorimetric detectors with potential applications in ethylene pipe-leak detection and the monitoring of fruit ripening. Encouragingly, the detector is able to discriminate between fruit at different stages of ripening. The response of the detector to other volatiles was also examined, and specific color changes were also observed upon exposure to aromatic acetylenes. The crystal structures of four new derivatives, including the ethylene-Pt(II) complex [PtCl2(C2H4)(L2)], are also described.