N,N’-((ethane-1,2-diylbis(azaneylylidene))bis(pent-2-en-2-yl-4-ylidene))bis(2,4,6-trimethylaniline) | 854407-18-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N’-((ethane-1,2-diylbis(azaneylylidene))bis(pent-2-en-2-yl-4-ylidene))bis(2,4,6-trimethylaniline)
• CAS: 854407-18-4
• 化学式: C₃₀H₄₂N₄
• 分子量: 458.69
• InChiKey: QUDCSYOOKGNWLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.41
• 重原子数：
  34.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  48.78
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N,N’-((ethane-1,2-diylbis(azaneylylidene))bis(pent-2-en-2-yl-4-ylidene))bis(2,4,6-trimethylaniline) 、 La[N(SiHMe₂)₂]₃(THF)₂ 以 甲苯 为溶剂， 以82%的产率得到[La(CH2NC(Me)CH(Me)N(2,4,6-trimethylphenyl))2(bis(dimethylsilyl)amido)]
  参考文献：
  名称：

  Rare earth metal complexes based on β-diketiminato and novel linked bis(β-diketiminato) ligands: Synthesis, structural characterization and catalytic application in epoxide/CO2-copolymerization

  摘要：

  Mesityl substituted beta-diketiminato lanthanum and yttrium complexes [(BDI)Ln{N(SiRMe2)}(2)] (BDI = ArNC(Me)CHC(Me)-NAr, Ar = 2,4,6-Me3C6H2, Ln = La, R = Me (1), H (2a); Ln = Y, R = H (2b)) can be prepared via facile amine elimination starting from [La(N(SiMe3)(2)}(3)] and [Ln{N(SiHMe2)(2)}(3)(THF)(2)] (Ln = Y, La), respectively. The X-ray crystal structure analysis of 1 revealed a distorted tetrahedral geometry around lanthanum with a eta(2)-bound beta-diketiminato ligand. A series of novel ethylene- and cyclohexyl-linked bis(beta-diketiminato) ligands [C2H4(BDAr)(2)]H-2 and [Cy(BDIAr)(2)]H-2 [Ar = Mes (=2,4,6-Me3C6H2), DEP (=2,6-Et2C6H3), DIPP (=2,6-i-Pr2C6H3)] were synthesized in a two step condensation procedure. The corresponding bis(beta-diketiminato) yttrium and lanthanum complexes were obtained via amine elimination. The X-ray crystal structure analysis of the ethylene-bridged bis(beta-diketiminato) complex [{CyH4(BDIMes)(2)}YN(SiMe3)(2)] (3b) and cyclohexyl-bridged complexes [{Cy(BDIMes)(2)}LaN(SiMe2)(2)] (7) and [{Cy(BDIDEP)(2)} LaN(SiMe3)(2)] (8) revealed a distorted square pyramidal coordination geometry around the rare earth metal, in which the amido ligand occupies the apical position and the two linked beta-diketiminato moieties form the basis. The geometry of the bis(beta-diketiminato) ligands depends significantly on the linker unit. While complexes with an ethylene-linked ligand adopt a cisoid arrangement of the two aromatic substituents, complexes with cyclohexyl linker adopt a transoid arrangement. Either one (3b) or both (7, 8) of the beta-diketiminato moieties are tilted out of the eta(2) coordination mode, resulting in close Ln(...)C contacts. The beta-diketiminato and linked bis(beta-diketiminato) complexes were moderately active in the copolymerization of cyclohexene oxide with CO2. A maximum of 92% carbonate linkages were obtained using the ethylene-bridged bis(beta-diketiminato) complex [{C2H4(BDIMes)(2)}LaN(SiHMe2)(2)] (4). (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.03.066
• 作为产物：
  描述：

  乙二胺 、 在 triethyloxonium fluoroborate 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以78 %的产率得到N,N’-((ethane-1,2-diylbis(azaneylylidene))bis(pent-2-en-2-yl-4-ylidene))bis(2,4,6-trimethylaniline)
  参考文献：
  名称：

  双（二亚胺）基二氟硼络合物：双（硼）阳离子的有效合成子

  摘要：

  已制备了一系列二氟硼双(二亚胺)配合物并用于获得三氟甲磺酸酯取代的氟硼烷配合物。随后合成了相应明确的双（硼）阳离子并进行了结构验证。我们还首次对作为阳离子硼酸衍生物的双（硼）阳离子进行了实验和理论研究。

  DOI：

  10.1039/d4dt02050b

文献信息

• Synthesis and structural characterisation of novel linked bis(β-diketiminato) rare earth metal complexes
  作者：Daniela V. Vitanova、Frank Hampel、Kai C. Hultzsch

  DOI：10.1039/b501930c

  日期：——

  Rare earth metal complexes based on novel linked bis(β-diketiminato) ligands have been prepared via amine elimination and their structural characterisation revealed that the linker unit has significant influence on the geometry and coordination mode of the ancillary ligand.

  基于新型联结双（β-二酮亚胺）配体的稀土金属配合物通过胺消除反应制备得到，其结构表征揭示了联结单元对辅助配体的几何构型和配位方式具有显著影响。
• Two β‐Diketiminate Zinc Complexes with 1‐D Chain and Dinuclear Topologies: Synthesis, Structures, and Catalytic Behavior
  作者：Liang Zhang、Yafei Li、Li Wang、Zhu Cao、Qian Zhang、Yahong Li

  DOI：10.1002/ejic.202200079

  日期：2022.7.19

  Two β-diketiminate zinc complexes with structurally interesting 1-D chain and dinuclear structures were synthesized and characterized. The chain complex exhibits high catalytic activity toward borylation of aryl iodides with B2Pin2.

  合成并表征了两种具有结构有趣的一维链和双核结构的 β-二酮亚胺锌配合物。该链络合物对芳基碘与B 2 Pin 2的硼化反应表现出高催化活性。