[Pd(C(CF3)=C(CO2Et)C6H4CH2NMe2-κC,N)(NCMe)2]PF6 | 658063-81-1

• 英文名称: [Pd(C(CF3)=C(CO2Et)C6H4CH2NMe2-κC,N)(NCMe)2]PF6
• CAS: 658063-81-1
• 化学式: C₁₉H₂₃F₃N₃O₂Pd*F₆P
• 分子量: 633.79
• InChiKey: VZIOZONOBDGXFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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反应信息

• 作为产物：
  描述：

  六氟磷酸银 、 bis[(benzyldimethylamino)chloropalladium(II)] 、 4,4,4-三氟-2-丁炔乙酯 、 乙腈 以 二氯甲烷 为溶剂， 生成 [Pd(C(CO2Et)=C(CF3)C6H4CH2NMe2-κC,N)(NCMe)2]PF6 、 [Pd(C(CF3)=C(CO2Et)C6H4CH2NMe2-κC,N)(NCMe)2]PF6
  参考文献：
  名称：

  Insertion reactions of unsymmetrical ester-activated alkynes with o-benzylamine palladacycles: a regioselectivity study

  摘要：

  The regioselectivities of the insertion reactions of RCdropCCO(2)Et (R = Ph, CF3) into the aryl-palladium bond of several five-membered. ortho-palladated dimethylbenzylamine complexes, [PdCl(C6H4CH2NMe2-kappaC,N)](2) (1), [PdCl(C6H4CH2NMe2-kappaC,N)(L)] [L=PEt3 (2), DMPP (3)], [Pd(C6H4CH2NMe2-kappaC,N)(NCMe)(L)]PF6 [L=MeCN (4), PEt3 (9), DMPP (5)], [Pd(OSO2CF3)(C6H4CH2NMe2-kappaC,N)(DMPP)] (6), [Pd(C6H4CHNMe2-kappaC,N)(solvent)]PF6 (7) and [Pd(C6H4CH2NMe2-kappaC,N)(DMPP)(solvent)]PF6 (8), have been compared with the help of multinuclear NMR spectroscopy. In general, the carboxylate group in the resulting seven-membered palladacycles is preferentially located next to the phenyl group of the benzylamine moiety, but this substitution pattern can be reversed by use of complexes containing electron-deficient and/or coordinatively-unsaturated palladium centres. A mechanism, based both on the experimental results described in this paper and on DFT computations, is proposed. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00149-x