dichlorocobalt;2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine

• 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: dichlorocobalt;2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine
• 化学式: C₂₈H₂₉Cl₂CoNP₂
• 分子量: 571.392
• InChiKey: DSWHHIBSMFIUMO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  6.22
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  dichlorocobalt;2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine 在 sodium triethylborohydride 作用下， 以 甲苯 为溶剂， 以82%的产率得到
  参考文献：
  名称：

  钴催化甲酸的水溶液脱氢

  摘要：

  在已知的液态有机氢载体中，在安全且可逆地储存氢的背景下，甲酸引起了越来越多的关注。在此，公开了第一分子定义的钴夹钳络合物，用于在温和条件下在水性介质中对甲酸进行脱氢。催化活性的关键是使用特定的配合物3。与相关的钌和锰配合物7和8相比，这种最佳的钴配合物表现出更高的性能。DFT计算在三重态势能面上支持无害的非经典双功能外球机制。

  DOI：

  10.1002/chem.201805612
• 作为产物：
  描述：

  双[2-(二苯基膦基)乙基]胺盐酸盐 在 cobalt(II) chloride 、 sodium hydroxide 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 dichlorocobalt;2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine
  参考文献：
  名称：

  Stereospecific polymerization of 1,3-butadiene catalyzed by cobalt complexes bearing N-containing diphosphine PNP ligands

  摘要：

  A series of cobalt complexes bearing N-containing diphosphine PNP ligands has been synthesized and characterized. The nature of the ligand structure affects the binding of the ligand to the cobalt center and determines the coordination geometry of the cobalt complexes. All the complexes have been employed to catalyze the polymerization of 1,3-butadiene, in combination with methylaluminoxane (MAO) or ethylaluminum sesquichloride (EASC) as the cocatalyst. Both the nature of the ligand and the type of cocatalyst had a remarkable influence on the polymerization activity, microstructure and molecular weight of the resulting polymers. The [Co]/MAO catalytic systems resulted in relatively lower conversions of butadiene and cis-1,4 contents in the polymers than the corresponding [Co]/EASC catalytic systems. Upon activation with EASC, the polymerization behaviors of the catalytic systems were also affected by the reaction parameters. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.05.051
• 作为试剂：
  描述：

  对氰基苯乙酮 在 dichlorocobalt;2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine 、 氢气 、 三乙基硼氢化钠 、 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 80.0 ℃ 、5.0 MPa 条件下， 反应 6.0h， 以98%的产率得到(4-(1-hydroxyethyl)phenyl)methanaminium chloride
  参考文献：
  名称：

  钴夹钳配合物，用于将腈催化还原成伯胺†

  摘要：

  各种钴夹钳型配合物1-6用于腈腈催化加氢成胺。在这些催化剂中，催化剂4是最有效的，可以中等至极好的收率还原芳族腈和脂族腈。

  DOI：

  10.1039/c9cy00225a

文献信息

• Additive‐Free Isomerization of Allylic Alcohols to Ketones with a Cobalt PNP Pincer Catalyst
  作者：Brian Spiegelberg、Andrea Dell'Acqua、Tian Xia、Anke Spannenberg、Sergey Tin、Sandra Hinze、Johannes G. de Vries

  DOI：10.1002/chem.201901148

  日期：2019.6.12

  Catalytic isomerization of allylic alcohols in ethanol as a green solvent was achieved by using air and moisture stable cobalt (II) complexes in the absence of any additives. Under mild conditions, the cobalt PNP pincer complex substituted with phenyl groups on the phosphorus atoms appeared to be the most active. High rates were obtained at 120 °C, even though the addition of one equivalent of base

  通过在不存在任何添加剂的情况下使用空气和湿气稳定的钴（II）配合物，可以实现烯丙醇在乙醇中的催化异构化（绿色溶剂）。在温和的条件下，被磷原子上的苯基取代的钴PNP钳形络合物似乎是活性最高的。即使加入一当量的碱可大大提高反应速度，但在120°C时仍可获得较高的反应速率。尽管获得了支持脱氢-加氢机理的一些证据，但已证明这不是主要机理。取而代之的是，乙醇脱氢形成的氢化钴配合物能够通过烯烃插入-消除反应实现双键异构化。
• Stereospecific polymerization of 1,3-butadiene catalyzed by cobalt complexes bearing N-containing diphosphine PNP ligands
  作者：Lin Chen、Pengfei Ai、Jianming Gu、Suyun Jie、Bo-Geng Li

  DOI：10.1016/j.jorganchem.2012.05.051

  日期：2012.10

  A series of cobalt complexes bearing N-containing diphosphine PNP ligands has been synthesized and characterized. The nature of the ligand structure affects the binding of the ligand to the cobalt center and determines the coordination geometry of the cobalt complexes. All the complexes have been employed to catalyze the polymerization of 1,3-butadiene, in combination with methylaluminoxane (MAO) or ethylaluminum sesquichloride (EASC) as the cocatalyst. Both the nature of the ligand and the type of cocatalyst had a remarkable influence on the polymerization activity, microstructure and molecular weight of the resulting polymers. The [Co]/MAO catalytic systems resulted in relatively lower conversions of butadiene and cis-1,4 contents in the polymers than the corresponding [Co]/EASC catalytic systems. Upon activation with EASC, the polymerization behaviors of the catalytic systems were also affected by the reaction parameters. (C) 2012 Elsevier B.V. All rights reserved.
• Cobalt‐Catalyzed Aqueous Dehydrogenation of Formic Acid
  作者：Wei Zhou、Zhihong Wei、Anke Spannenberg、Haijun Jiao、Kathrin Junge、Henrik Junge、Matthias Beller

  DOI：10.1002/chem.201805612

  日期：2019.6.26

  Among the known liquid organic hydrogen carriers, formic acid attracts increasing interest in the context of safe and reversible storage of hydrogen. Here, the first molecularly defined cobalt pincer complex is disclosed for the dehydrogenation of formic acid in aqueous medium under mild conditions. Crucial for catalytic activity is the use of the specific complex 3. Compared to related ruthenium and

  在已知的液态有机氢载体中，在安全且可逆地储存氢的背景下，甲酸引起了越来越多的关注。在此，公开了第一分子定义的钴夹钳络合物，用于在温和条件下在水性介质中对甲酸进行脱氢。催化活性的关键是使用特定的配合物3。与相关的钌和锰配合物7和8相比，这种最佳的钴配合物表现出更高的性能。DFT计算在三重态势能面上支持无害的非经典双功能外球机制。