[Ir(5-formyl-2-(2'-pyridyl)phenyl)2(4,4'-di-tert-butyl-2,2'-bipyridine)][triflate] | 860779-77-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [Ir(5-formyl-2-(2'-pyridyl)phenyl)2(4,4'-di-tert-butyl-2,2'-bipyridine)][triflate]
• CAS: 860779-77-7
• 化学式: CF₃O₃S*C₄₂H₄₀IrN₄O₂
• 分子量: 974.096
• InChiKey: OPBIBDFQVZMZIN-UHFFFAOYSA-M

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

• 作为反应物：
  描述：

  [Ir(5-formyl-2-(2'-pyridyl)phenyl)2(4,4'-di-tert-butyl-2,2'-bipyridine)][triflate] 、 diethyl 1-diazo-2-oxopropylphosphonate 、 水 在 K₂CO₃ 作用下， 以 甲醇 为溶剂， 以62%的产率得到[Ir(5-HCC-2-(2'-pyridyl)phenyl)2(4,4'-di-tert-butyl-2,2'-bipyridine)][triflate]*H2O
  参考文献：
  名称：

  Direct functionalization of the cyclometalated 2-(2′-pyridyl)phenyl ligand bound to iridium(III)

  摘要：

  Treatment of [Ir(ppy)(2)(mu-Cl)](2) and [Ir(ppy)(2)(dtbpy)][OTf] (ppy = 2-(2'-pyridyl)phenyl; dtbpy = 4,4'-di-tert-butyl-2,2'-bipyridine; OTf = triflate) with pyridinium tribromide in the presence of Fe powder led to isolation of [Ir(4-Br-ppy)(mu-Br)](2) (1) and [Ir(4-Br-ppy)(2)(dtbpy)][OTf] (2), respectively. Pd-catalyzed cross-coupling of 2 with RB(OH)(2) afforded [Ir(4-R-PPY)(2)(dtbpy)][OTf] (R = 4'-FC6H4 (3)) 4-PhC6H4 (4), 2'-thienyl (5), 4'-C6H4CH2OH (6). Treatment of 4 with B-2(pin)(2) (pin = pinacolate) afforded [Ir{4-(pin)B-ppy}(2)(dtbpy)][OTf] (7). The alkynyl complexes [Ir(4-PhC equivalent to C-ppy)(2)(dtbpy)][OTf] (8) and [Ir{4-Me-2(OH)C equivalent to C-ppy}(4-Br-ppy)(dtbpy)][OTf] (9) were prepared by cross-coupling of 2 with PhC equivalent to CSnMe3 and Me2C(OH)C equivalent to CH, respectively. Ethynylation of [Ir(fppy)(2)(dtbpy)][OTf] (fppy = 5-formyl-2-(2'-pyridyl)phenyl) with Ohira's reagent MeCOC(N-2)P(O)(OEt)(2) afforded [Ir{5-HC equivalent to C-ppy}(2)(dtbpy)][OTf] (10). The solid-state structures of 2, 5, 7, and 10 have been determined. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.03.013