[Ir(acetylacetonate)(2'-(2,4-difluorophenyl)-9-O-benzyl-10,11-dihydrocinchonine-N,C(-1H))2] | 1353857-57-4

• 分子结构分类: 有机化合物 - 生物碱及其衍生物
• 英文名称: [Ir(acetylacetonate)(2'-(2,4-difluorophenyl)-9-O-benzyl-10,11-dihydrocinchonine-N,C(-1H))2]
• 英文别名: [Ir(acac)(2'-(2,4-difluorophenyl)-9-O-benzyl-10,11-dihydrocinchonine-N,C(-1H))2]
• CAS: 1353857-57-4
• 化学式: C₆₉H₆₉F₄IrN₄O₄
• 分子量: 1286.54
• InChiKey: LJHQNYWWOALTIQ-QOQRWKPFSA-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：

  dichlorotetrakis(2'-(2,4-difluorophenyl)-9-O-benzyl-10,11-dihydrocinchonine(-1H))diiridium(III) 、 乙酰丙酮 在 K₂CO₃ 作用下， 以 乙二醇乙醚 为溶剂， 以58%的产率得到[Ir(acetylacetonate)(2'-(2,4-difluorophenyl)-9-O-benzyl-10,11-dihydrocinchonine-N,C(-1H))2]
  参考文献：
  名称：

  Soluble Phosphorescent Iridium(III) Complexes from Cinchonine-Derived Ligands

  摘要：

  Cinchonine-derived complexes Ir(L2)(2)(acac) (3), Ir(L2)(2)(dbm) (4), [Ir(L1)(2)(bipy)] [PF6] (5), [Ir(L1)(2)(phen)] [PF6] (6), [Ir(L1)(2)(dppe)] [PF6] (7), [Ir(L2)(2)(bipy)][PF6] (8), [Ir(L2)(2)(phen)][PF6] (9), and [Ir(L2)2(dppe)][PF6] (10) (L1 = 2'-phenyl-9-O-benzyl-10,11-dihydrocinchonine-N,C; L2 = 2'-(2,4-difluorophenyl)-9-O-benzyl-10,11-dihydrocinchonine-N,C; acac = acetylacetonate; dbm = dibenzoylmethane; bipy = 2,2'-bipyridine; phen = 1,10-phenanthroline; dppe = (Z)-1,2-bis(diphenylphosphino)ethene) are highly soluble in common organic solvents and phosphoresce with emission wavelengths from orange to green (583-529 nm) and internal quantum efficiencies from 4 to 24%. The emission is blue-shifted for the neutral auxiliary ligands and/or by incorporation of fluorine into the alkaloid-based chromophore. An unprecedented regiospecific monohydrodefluorination of L2, giving 2'-(4-fluorophenyl)-9-O-benzyl-10,11-dihydrocinchonine (L2'), occurred during the synthesis of 3 and 4.

  DOI：

  10.1021/om200759d