[PdCl((η5-C5H5)Fe(η5-C5H3)C(Me)=NC6H4-4-Br)]2 | 915789-94-5

• 英文名称: [PdCl((η5-C5H5)Fe(η5-C5H3)C(Me)=NC6H4-4-Br)]2
• 英文别名: [C5H5FeC5H3PdClC(CH3)NC6H4Br-p]2
• CAS: 915789-94-5
• 化学式: C₃₆H₃₀Br₂Cl₂Fe₂N₂Pd₂
• 分子量: 1045.9
• InChiKey: OZRRWKMRJAWMKZ-TYCHDTSASA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [PdCl((η5-C5H5)Fe(η5-C5H3)C(Me)=NC6H4-4-Br)]2 、 1,3,4-三苯基-4,5-二氢-1H-1,2,4-三氮唑-5-亚基 以 甲苯 为溶剂， 生成 [C5H5FeC5H3PdClC(CH3)N(C6H4Br-p)C2N3Ph3
  参考文献：
  名称：

  N-Heterocyclic carbene adducts of cyclopalladated ferrocenylimines: Synthesis, characterization and catalytic activity for the Suzuki–Miyaura reaction

  摘要：

  A series of novel air-stable carbene adducts of cyclopalladated ferrocenylimines have been synthesized and characterized. The structures of these complexes were determined by single-crystal X-ray analysis. These adducts have been successfully applied to the Suzuki-Miyaura coupling reaction under aerobic conditions. Good to excellent yields were obtained in short reaction times with a lower loading of the catalyst. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.01.031

文献信息

• Tricyclohexylphosphine-cyclopalladated ferrocenylimine complexes: synthesis, crystal structures and application in Suzuki and Heck reactions
  作者：Chen Xu、Jun-Fang Gong、Su-Fang Yue、Yu Zhu、Yang-Jie Wu

  DOI：10.1039/b608825b

  日期：——

  acid. Typically, using 0.1 mol% of catalyst in the presence of 1.5 equivalent of Cs(2)CO(3) as base in dioxane at 100 degrees C provided coupled products in excellent yields. These complexes also displayed good activity in the Heck reaction of a range of aryl bromides with acrylic acid ethyl ester although they were not particularly useful for the activation of aryl chlorides.

  一系列新颖的三环己基膦（PCy（3））-环钯的二茂铁基亚胺配合物2c-2g易于合成。这些新的palladacycles具有热稳定性，并且对空气和湿气不敏感。通过单晶X射线分析确定了它们的详细结构，发现这些配合物的晶体中存在六种不同类型的分子间氢键。考察了使用2c-2g作为Suzuki和Heck反应的催化剂。发现它们对于芳基氯与苯基硼酸的Suzuki反应非常有效。通常，在100摄氏度下在二恶烷中存在1.5当量的Cs（2）CO（3）作为碱的情况下使用0.1摩尔％的催化剂可以以优异的收率获得偶联产物。