| 1295600-25-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1295600-25-7
• 化学式: C₂₅H₃₄N₂Zn
• 分子量: 427.948
• InChiKey: UKPAPJBXUXADAD-ZOYBPSNJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  、 以 氘代苯 为溶剂， 生成
  参考文献：
  名称：

  氟芳烃与 Mg-Mg、Mg-Zn、Mg-Al 和 Al-Zn 键反应的综合实验和计算研究†

  摘要：

  通过结合实验和计算 (DFT) 方法，将氟芳烃添加到 Mg-Mg 键的反应机制已被确定为协同 S N Ar 样途径，其中一个 Mg 中心充当亲核试剂，另一个充当亲电试剂. 实验确定的将 C 6 F 6添加到分子复合物的 Mg-Mg 键上的吉布斯活化能Δ G ‡ 298 K（实验）= 21.3 kcal mol -1由具有 ωB97X 泛函的 DFT 建模，Δ G ‡ 298 K (DFT) = 25.7 kcal mol -1. C-F活化的过渡态涉及Mg-Mg键的极化和氟芳烃部分的显着负电荷定位。这种过渡态通过稳定闭壳 Mg⋯F邻位相互作用得到增强，结合氟芳烃中 C-F 和 C-M 键强度的已知趋势，为实验确定的 C-F 键活化偏好提供了解释发生在邻位两侧的位置-氟原子。已经研究了配体配位球的修饰以及 M-M 键（M = Mg，Zn，Al）的性质和极性对 C-F 活化的影响。已经制备了一

  DOI：

  10.1039/c7sc05059c
• 作为产物：
  描述：

  2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopent-2-en-2-yl]aniline 、 diethylzinc 以 正己烷 、 甲苯 为溶剂， 反应 3.02h， 生成
  参考文献：
  名称：

  将二氧化碳插入硼酸酯配体的碳硼键中

  摘要：

  我们报告了将CO 2插入CB键的第一个例子。

  DOI：

  10.1039/c6cc01257d

文献信息

• Comparative study of lactide polymerization by zinc alkoxide complexes with a β-diketiminato ligand bearing different substituents
  作者：Hsuan-Ying Chen、Ya-Liu Peng、Tai-Hsiung Huang、Alekha Kumar Sutar、Stephen A. Miller、Chu-Chieh Lin

  DOI：10.1016/j.molcata.2011.02.013

  日期：2011.4

  A series of beta-diketiminate zinc complexes has been synthesized and their reactivity for the ring-opening polymerization (ROP) of lactide has been studied. The reaction of beta-diketimines (LH) with diethyl zinc forms the monomeric [LZnEt] complexes which further react with benzyl alcohol (BnOH) in toluene/hexane yielding dinuclear or trinuclear zinc complexes. These complexes have been characterized by single crystal X-ray diffraction, which showed the tri- and tetra-coordinated zinc complexes in which zinc atoms exhibit trigonal and tetrahedral geometry, respectively. All complexes have been tested as initiators for the ring-opening polymerization of lactide: they are all highly active. The rate of polymerization is heavily dependent on the N-aryl substituents with the order: alkyl group similar to alkoxy > halide group > nitro group. The beta-diketiminate zinc complexes allow controlled ring-opening polymerization as shown by the linear relationship between the percentage conversion and the number-average molecular weight. On the basis of literature reports, a mechanism for ROP of lactide has been proposed. (C) 2011 Elsevier B.V. All rights reserved.
• Transition Metal‐Free Catalytic C−H Zincation and Alumination
  作者：Milan Kumar Bisai、Justyna Łosiewicz、Lia Sotorrios、Gary S. Nichol、Andrew P. Dominey、Michael J. Cowley、Stephen P. Thomas、Stuart A. Macgregor、Michael J. Ingleson

  DOI：10.1002/anie.202404848

  日期：2024.6.10

  C−H metalation is the most efficient method to prepare aryl–zinc and –aluminium complexes that are ubiquitous nucleophiles. Virtually all C–H metalation routes to form Al/Zn organometallics require stoichiometric, strong Brønsted bases with no base‐catalyzed reactions reported. Herein we present a catalytic in amine/ammonium salt (Et3N/[(Et3N)H]+) C–H metalation process to form aryl‐zinc and aryl‐aluminium complexes. Key to this approach is coupling an endergonic C–H metalation step with a sufficiently exergonic dehydrocoupling step between the ammonium salt by‐product of C–H metalation ([(Et3N)H]+) and a Zn–H or Al–Me containing complex. This step, forming H2/MeH, makes the overall cycle exergonic while generating more of the reactive metal electrophile. Mechanistic studies supported by DFT calculations revealed metal‐specific dehydrocoupling pathways, with the divergent reactivity due to the different metal valency (which impacts the accessibility of amine‐free cationic metal complexes) and steric environment. Notably, dehydrocoupling in the zinc system proceeds through a ligand‐mediated pathway involving protonation of the b‐diketiminate Cg position. Given this process is applicable to two disparate metals (Zn and Al), other main group metals and ligand sets are expected to be amenable to this transition metal‐free, catalytic C−H metalation.