[Ir(H)2(PCyp3)(η6-C6H3(CF3)2)B(C6H3(CF3)2)3] | 1220247-55-1

• 英文名称: [Ir(H)2(PCyp3)(η6-C6H3(CF3)2)B(C6H3(CF3)2)3]
• 英文别名: [Ir(H)2(PCyp3)(η6-C6H3(CF3)2)BAr3F]
• CAS: 1220247-55-1
• 化学式: C₄₇H₄₁BF₂₄IrP
• 分子量: 1295.81
• InChiKey: DNJHQZZVBZHJGF-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：

  [Ir(H)2(η6-C6H5F)(PCyp3)][BAr4F]*0.25C6H5F 以 二氯甲烷-D2 为溶剂， 生成 [Ir(H)2(PCyp3)(η6-C6H3(CF3)2)B(C6H3(CF3)2)3]
  参考文献：
  名称：

  Alkyl dehydrogenation in iridium tri-cyclopentyl phosphines

  摘要：

  The iridium cyclooctadiene complex incorporating a tricyclopentyl phosphine ligand (PCyp(3)), Ir(eta(2):eta(2)-C8H12)(PCyp(3))Cl, has been prepared. Removal of the chloride from this complex using Na[BAr4F][Ar-F = C6H3(CF3)(2)] in CH2Cl2/arene solvent results in dehydrogenation (C-H activation followed by beta-H transfer) of one of the alkyl phosphine rings and formation of the complexes [Ir(eta(6)-C6H5X){PCyp(2)(eta(2)-C5H7)}][BAr4F] (X = H, F) which contain a hybrid phosphine-alkene ligand. These complexes are formed alongside another product (5-20% yield) that has been identified as [Ir(eta(2):eta(2)-C8H12){PCyp(2)(eta(2)-C5H7)}][BAr4F], which can be prepared in high yield by an alternative, and slightly modified, route. This complex is with a minor isomer that has been tentatively identified as [Ir(eta(2):eta(3)-C8H11)(H){PCyp(2)(eta(2)-C5H7)}][BAr4F], which results from allylic C-H activation of cyclooctadiene. Addition of H-2 to [Ir(eta(2):eta(2)-C8H12){PCyp(2)(eta(2)-C5H7)}][BAr4F] and its isomer in arene solvent (C6H5X, X = F, H) forms the dihydrido eta(6)-arene Ir(III) complexes [Ir(H)(2)eta(6)-C6H5X)(PCyp(3))][BAr4F]. In contrast, hydrogenation in CH2Cl2 alone results in the formation of [Ir(H)(2)(PCyp(3))eta(6)-(C3H3)(2)][BAr3F] in which the [BAr4F](-) anion is now acting as a ligand through one of its aryl rings. The fluorobenzene complex [Ir(H)(2)eta(6)-C6H5F)(PCyp(3))][BAr4F] can be cleanly converted to [Ir(eta(6)-C6H5F){PCyp(2(eta)(2)-C5H7)}]][BAr4F] by addition of the hydrogen acceptor tert-butylethene (tbe). (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.03.004