(1,10-phenanthroline-κ(2)-N,N')[(2,3-η)-1,4-benzoquinone]palladium(0) | 196491-41-5

• 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: (1,10-phenanthroline-κ(2)-N,N')[(2,3-η)-1,4-benzoquinone]palladium(0)
• 英文别名: (1,10-phenanthroline)Pd(1,4-benzoquinone)；cyclohexa-2,5-diene-1,4-dione;palladium;1,10-phenanthroline
• CAS: 196491-41-5；52462-70-1
• 化学式: C₁₈H₁₂N₂O₂Pd
• 分子量: 394.725
• InChiKey: JVKHGFDEJCLMGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.03
• 重原子数：
  23.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  59.92
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (1,10-phenanthroline-κ(2)-N,N')[(2,3-η)-1,4-benzoquinone]palladium(0) 、 亚硝基苯 以 四氢呋喃 为溶剂， 以70%的产率得到Pd2(1,10-phenanthroline)2(nitrosobenzene)3
  参考文献：
  名称：

  Investigation of the reactivity of palladium(0) complexes with nitroso compounds: relevance to the palladiumphenanthroline-catalysed carbonylation reactions of nitroarenes

  摘要：

  The electron transfer reaction between palladium(0) complexes and RNO compounds afforded different palladium species depending on the aromatic or aliphatic nature of R. When R = Ph a paramagnetic palladium complex 1 was isolated, whereas if R = Bu-t the palladium enolate complex 2 was the unexpected reaction product. Complex 1 reacted with methanol and CO to yield Pd(phen)(C(O)OCH3}(2) 3, which was characterised by single-crystal X-ray structure determination. Compound 3 is a probable intermediate in the reductive carbonylation reaction of organic nitro compounds catalysed by palladium complexes. Nitrobenzene is in fact carbonylated to PhNHCO2Me, by using 3 as a very efficient catalyst. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00263-6