1,3-bis(5-(3,5-xylyl)pyridin-2-ylimino)-5,6-dimethylisoindole | 1263101-48-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1,3-bis(5-(3,5-xylyl)pyridin-2-ylimino)-5,6-dimethylisoindole
• 英文别名: N-[5-(3,5-dimethylphenyl)pyridin-2-yl]-3-[5-(3,5-dimethylphenyl)pyridin-2-yl]imino-5,6-dimethylisoindol-1-amine
• CAS: 1263101-48-9
• 化学式: C₃₆H₃₃N₅
• 分子量: 535.692
• InChiKey: KVUMQJOWYWYGAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  41
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  62.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [Ir(η2-ethylene)2Cl]2 、 1,3-bis(5-(3,5-xylyl)pyridin-2-ylimino)-5,6-dimethylisoindole 在 NaH 作用下， 以 乙醚 为溶剂， 生成 [Ir(1,3-bis(5-(3,5-xylyl)pyridin-2-yl)-5,6-dimethylisoindole(-H))(ethylene)2]
  参考文献：
  名称：

  双（吡啶基吡啶基）异吲哚基-铱配合物作为烯烃的环氧化催化剂

  摘要：

  配体1a，b（1a = 1,3-双（2-（5-（3-（3,5-二甲苯基）吡啶基）亚氨基）亚氨基）-5,6-二甲基异吲哚的钠盐的反应，1b = 1,3-双（2-（4-叔丁基吡啶基亚氨基）-5,6-二甲基异吲哚）具有[Ir（μ-Cl）（COD）] 2（COD =环辛二烯）和[Ir（μ-Cl）（C 2 H 4）2 ] 2得到相应的异吲哚并合物[{BPI（1a，b）} Ir I（COD）]（2a，b）和[{BPI（1a，b）} Ir I（C 2 H 4）2 ]（3a，b）。使用PPO（PPO = 3-苯基-2-（苯基磺酰基）-1,2-恶唑烷）作为氧化剂，在各种非富电子烯烃的环氧化中测试了配合物2a，b的催化活性，以中等至高收率得到相应的环氧化物。

  DOI：

  10.1021/om1010116

文献信息

• Cationic BPI‐Gold(III) Complexes: Controlling Ligating and Nonligating Anions
  作者：Torsten Roth、Hubert Wadepohl、Lutz H. Gade

  DOI：10.1002/ejic.201600024

  日期：2016.3

  synthetic protocol has been devised to access cationic gold(III) bis(2-pyridylimino)isoindolato (BPI) complexes. The rigid BPI framework was shown to stabilize this type of coordination compound and allowed different substitution patterns in the ligand periphery. The synthesis of these complexes tolerates both air and moisture and does not require transmetalation steps with toxic thallium or mercury compounds

  已设计出一种新的合成方案来获取阳离子金 (III) 双 (2-吡啶亚氨基) 异吲哚 (BPI) 配合物。刚性 BPI 框架被证明可以稳定这种类型的配位化合物，并允许在配体外围使用不同的取代模式。这些配合物的合成耐受空气和水分，不需要使用有毒的铊或汞化合物进行金属转移步骤。值得注意的是，反离子的控制是通过使用离子交换树脂和盐复分解实现的。研究了方形平面配合物第四配位中阴离子配体的选择性修饰和转化，同时保持未配位的抗衡离子不变。这种转变在金 (III) 配合物的配位化学和催化中很重要，证明是非常有选择性的，前提是连接和非连接阴离子物质在性质上有足够的不同。在所有情况下，都发现了 BPI 支架的严格 N,N,N 协调，从而保持了方形平面复合物的 C2v 对称性。
• Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity
  作者：Astrid L. Müller、Tim Bleith、Torsten Roth、Hubert Wadepohl、Lutz H. Gade

  DOI：10.1021/om501138t

  日期：2015.6.8

  A series of kappa(2)-(N,N)-coordinated bis(2-pyridylimino)-isoindolato (BPI) complexes [Cp*Ir(BPI)Cl], which possess "three-legged piano-stool" structures, with the iridium atom being coordinated by the Cp* ligand 2 x N and Cl, were prepared via deptotonation of the BPIH ligands with either potassium hydride or LDA and subsequent reaction with [Cp*IrCl2](2) in THE Cationic complexes [Cp*Ir(BPI)](+) containing kappa(3)-(N,N,N)-coorditated BPI ligatids were prepared as well as complexes with bidentate-coordinated BPI ligands, where the chloride ligand was substituted by either neutral or anionic ligands. Substitution in the ortho-position of the PBI ligands led to the formation of cycloiridated kappa(3)-(N,N,C) species. Upon substitution of the anionic ligand by triphenylphosphine, a product was obtained with a hitherto unobserved kappa(2)-(N,N) coordination of oMe-BPI to the metal center via the deprotonated nitrogen atom Of the isoindole unit and one of the imine nitrogen atoms of the BPI ligand. A series of (para-cymene) osmium half-sandwich complexes with analogous structures and reactivities to their isoelectronic Cp*Ir(BPI) congeners were also prepared. Finally, it has been demonstrated that both Ir and Os complexes are catalytically active in the transfer hydrogenation of various ketones and imines.