^MesBIPCoCl₂ | 210155-45-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: ^MesBIPCoCl₂
• 英文别名: [(2,6-(2,4,6-Me3C6H2N=CMe)2C5H3N)CoCl2]；[CoCl2(2,6-(MeCN(mesityl))2C5H3N)]；2,6-diacetylpyridinebis(2,4,6-trimethylphenylimine)cobalt dichloride
• CAS: 210155-45-6
• 化学式: C₂₇H₃₁Cl₂CoN₃
• 分子量: 527.462
• InChiKey: JMMAEMZPOHWDSR-VZFXNHKXSA-L

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：

  ^MesBIPCoCl₂ 在 zinc 作用下， 以 甲苯 为溶剂， 以56%的产率得到[Co(Cl)(2,6-(MeCN(mesityl))2C5H3N)]
  参考文献：
  名称：

  Investigations into the Mechanism of Activation and Initiation of Ethylene Polymerization by Bis(imino)pyridine Cobalt Catalysts:  Synthesis, Structures, and Deuterium Labeling Studies

  摘要：

  The activation of bis(imino)pyridine cobalt(II) precatalysts by MAO leads initially to a bis(imino)pyridine cobalt(I) cationic species with no cobalt-C(alkyl) bond into which insertion can occur. Mechanistic studies have shown that the initiation of polymerization from this species involves incorporation of alkyl groups from the cocatalyst, most likely involving attack of methide anion (from the counteranion) on a cobalt-ethylene species.

  DOI：

  10.1021/om049032b
• 作为产物：
  描述：

  cobalt(II) chloride 、 2,6-bis[1-(2,4,6-trimethylimino)ethyl]pyridine 以 四氢呋喃 为溶剂， 反应 4.0h， 以92.4%的产率得到^MesBIPCoCl₂
  参考文献：
  名称：

  双（N-芳基羧酰亚胺基氯）吡啶钴（ii）配合物的合成及其对1,3-丁二烯聚合的催化作用†

  摘要：

  双（的新家族Ñ -arylcarboximidoylchloride）吡啶钴（II）配合物与通式[2,6-（ARN CCL）2 ç 5 ħ 3 N]氯化钴2（AR = 2,4,6-ME 3 Ç 6 ħ 2，图4a ; 2,6-我镨2 ç 6 ħ 3，4B ; 2,6-ME 2 ç 6 ħ 3，图4c ; C ^ 6 ħ 5，4D ; 4-氯-2,6--ME 2 C 6ħ 2，4E）和一个典型布鲁克哈特-吉布森式参考络合物[2,6-（2,4,6--ME 3 c ^ 6 ħ 2 Ñ CME）2 ç 5 ħ 3 N]氯化钴2（图5a）的合成和特点。通过X射线晶体学分析确定，配合物4a，4c–e和5a采用三角形双锥体构型，而4b采用了扭曲的方形金字塔形几何形状。与倍半氯化乙基铝（EASC）结合使用时，所有配合物均对1,3-丁二烯聚合具有很高的活性，提供的聚丁二烯主要具有-1,4的顺式含量（最高96

  DOI：

  10.1039/c3dt51403j
• 作为试剂：
  描述：

  5-已烯-2-酮 、 频那醇硼烷 在 ^MesBIPCoCl₂ 、 sodium t-butanolate 作用下， 反应 1.0h， 以80%的产率得到6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-2-one
  参考文献：
  名称：

  用叔丁醇钠活化和发现富地球的金属催化剂

  摘要：

  NaOtBu（一种醇盐）可使用可持续的第一行过渡金属（Fe，Co，Mn，Ni）轻松获得低氧化态催化剂。该方法适用于广泛的还原性烯烃和炔烃官能化反应，包括硼氢化，氢化硅烷化，氢化，氢化乙烯基化和[2π+2π]环化反应。

  DOI：

  10.1038/nchem.2697

文献信息

• Experimental and Computational Study of β-H Transfer between Cobalt(I) Alkyl Complexes and 1-Alkenes
  作者：Kilian P. Tellmann、Martin J. Humphries、Henry S. Rzepa、Vernon C. Gibson

  DOI：10.1021/om049581h

  日期：2004.11.1

  Bis(imino)pyridine cobalt(I) alkyl complexes react with 1-alkenes by β-hydrogen transfer, providing a model reaction for the study of a commonly encountered chain transfer process in polymerization and oligomerization catalysis. The influence of steric effects on reaction rates is described. The theoretical models largely agree with the experimentally determined structures, provide a more detailed

  双（亚氨基）吡啶钴（I）烷基络合物通过β-氢转移与1-烯烃反应，为研究聚合和低聚催化中常见的链转移过程提供了模型反应。描述了空间效应对反应速率的影响。理论模型在很大程度上与实验确定的结构相符，提供了所涉及物种的更详细视图，并且与观察到的反应性一致。实验和理论均支持涉及氢化钴中间体的逐步途径。
• Investigating the Nature of the Active Species in Bis(imino)pyridine Cobalt Ethylene Polymerization Catalysts
  作者：Igor E. Soshnikov、Nina V. Semikolenova、Alexey N. Bushmelev、Konstantin P. Bryliakov、Oleg Y. Lyakin、Carl Redshaw、Vladimir A. Zakharov、Evgenii P. Talsi

  DOI：10.1021/om900490b

  日期：2009.10.26

  The activation of bis(imino)pyridine cobalt-based catalysts of ethylene polymerization with methylalumoxane (MAO), AlMe3, and AlMe3/[CPh3][B(C6F5)(4)] has been studied by H-1, H-2, and F-19 NMR and EPR spectroscopy. The nature of the active sites of polymerization is discussed. The polymerization kinetics and the polymer properties for the different catalyst/activator systems were correlated with spectroscopic data.
• One-Pot, One-Step Precatalysts through Mechanochemistry
  作者：Thomas E. Shaw、Logesh Mathivathanan、Titel Jurca

  DOI：10.1021/acs.organomet.9b00575

  日期：2019.11.11

  The development and implementation of transition-metal-based precatalysts have played crucial roles in modern organic synthesis. However, while the use of such species greatly improves sustainability, their preparative routes often rely on multiple time-, energy-, and solvent-intensive steps. By leveraging solvent-free mechanochemical synthesis through vibratory ball milling, we report the one-pot, one-step synthesis of a range of first-row transition-metal bis(imino)pyridine complexes, where both the ligand and coordination complex are assembled in situ. Bis(imino)pyridine complexes of the first-row transition metals have an extensive history of application as precatalysts for numerous bond-forming transformations. The method reported herein facilitates access to such species in a time-, solvent-, and space-saving manner which can easily be adapted to any laboratory setting regardless of prior experience with coordination complex synthesis.