[iridiumH(κ(2)-acetylacetonate)(E-CH=CHOC(O)Me)(PiPr3)2] | 366007-05-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [iridiumH(κ(2)-acetylacetonate)(E-CH=CHOC(O)Me)(PiPr3)2]
• 英文别名: [IridiumH(κ(2)-acetylacetonat)(E-CH=CHOC(O)Me)(PiPr3)2]
• CAS: 366007-05-8；366494-23-7
• 化学式: C₂₇H₅₅IrO₄P₂
• 分子量: 697.899
• InChiKey: VDMOLMUMOVXLIA-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：

  [iridium(κ(2)-acetylacetonate)(η(2)-vinylacetate)(PiPr3)] 、 三异丙基膦 以 氘代苯 为溶剂， 生成 [iridiumH(κ(2)-acetylacetonate)(E-CH=CHOC(O)Me)(PiPr3)2] 、 [iridiumH(κ(2)-acetylacetonate)(E-CH=CHOC(O)Me)(PiPr3)2]
  参考文献：
  名称：

  具有乙酰丙酮配体的烯属铱 (I) 配合物的合成、结构和光化学

  摘要：

  The bis(ethene) complex [Ir(kappa (2)-acac)(C2H4)(2)] (1) reacts with tertiary phosphanes to give the monosubstitution products [Ir(kappa (2)-acac)(C2H4)(PR3)] (2-5). While 2 (R = iPr) is inert toward PiPr(3), the reaction of 2 with diphenylacetylene affords the pi -alkyne complex [Ir(kappa (2)-acac)(C2Ph2)-(PiPr(3))] (6). Treatment of [IrCl(C2H4)(4)] with C-functionalized acetylacetonates yields the compounds [Ir(kappa (2)-acacR(1,2))(C2H4)(2)] (8, 9), which react with PiPr(3) to give [Ir(kappa (2)-acacR(1,2))(C2H4)(PiPr(3))] (10, 11) by displacement of one ethene ligand. UV irradiation of 5 (PR3 = iPr(2)PCH(2)-CO2Me) and 11 (R-2 = (CH2)(3)CO2Me) leads, after addition of PiPr(3), to the formation of the hydrido(vinyl)iridium (III) complexes 7 and 12. The reaction of 2 with the ethene derivatives CH2=CHR (R = CN, OC(O)Me, C(O)Me) affords the compounds [Ir(kappa (2)-acac)(CH2=CHR)(PiPr(3))] (13-15), which on photolysis in the presence of PiPr(3) also undergo an intramolecular C-H activation. In contrast, the analogous complexes [Ir(kappa (2)-acac)(olefin)(PiPr(3))] (olefin = (E)-C2H2(CO2Me)(2) 16, (Z)-C2H2(CO2Me)(2) 17) are photochemically inert.

  DOI：

  10.1002/1521-3749(200108)627:8<1807::aid-zaac1807>3.0.co;2-a