(η2-N,C-pyridyl)Mo(PMe3)4H | 479347-30-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (η2-N,C-pyridyl)Mo(PMe3)4H
• 英文别名: (η2-pyridine)Mo(PMe3)4H
• CAS: 479347-30-3
• 化学式: C₁₇H₄₁MoNP₄
• 分子量: 479.354
• InChiKey: ZKCOULQZOFSSOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  (η2-N,C-pyridyl)Mo(PMe3)4H 以 环己烷 为溶剂， 以52%的产率得到(η6-pyridine)Mo(PMe3)3
  参考文献：
  名称：

  Coordination chemistry of molybdenum relevant to hydrodenitrogenation: Reactivity of Mo(PMe3)6 towards 6-membered heterocyclic aromatic nitrogen compounds involving C–H bond cleavage and η6-coordination

  摘要：

  The reactivity of Mo(PMe(3))(6) towards 6-membered heterocyclic aromatic nitrogen compounds, namely pyridine, pyrazine, pyrimidine and triazine, has been investigated as part of an effort to define the coordination chemistry of molybdenum relevant to hydrodenitrogenation. For example, Mo(PMe(3))(6) reacts with pyridine to yield initially (eta(2)-N,C-pyridyl)Mo(PMe(3))(4)H, an uncommon example of an eta(2)-pyridyl-hydride complex. The formation of (eta(2)-N,C-pyridyl)Mo(PMe(3))(4)H is reversible and treatment with PMe(3) regenerates Mo(PMe(3))(6) and pyridine. At elevated temperatures, (eta(2)-N,C-pyridyl)Mo(PMe(3))(4)H dissociates PMe(3) and converts to the eta(6)-pyridine complex (eta(6)-pyridine) Mo(PMe(3))(3). Pyrazine, pyrimidine and 1,3,5-triazine likewise react with Mo(PMe(3))(6) to yield (eta(2)-N,C-pyrazinyl)Mo(PMe(3))(4)H, (eta(2)-N,C-pyrimidinyl)Mo(PMe(3))(4)H and (eta(2)-N,C-triazinyl)Mo(PMe(3))(4)H, respectively. At elevated temperatures (eta(2)-N,C-pyrazinyl) Mo(PMe(3))(4)H and (eta(2)-N,C-pyrimidinyl) Mo(PMe(3))(4)H dissociate PMe(3) and convert to (eta(6)-pyrazine)Mo(PMe(3))(3) and (eta(6)-pyrimidine) Mo(PMe(3))(3) in which the heterocycle coordinates to molybdenum in an unprecedented eta(6)-manner. (C) 2007 Published by Elsevier B.V.

  DOI：

  10.1016/j.ica.2007.10.048
• 作为产物：
  描述：

  吡啶 、 hexakis(trimethylphosphine)molybdenum 以 苯 为溶剂， 以96%的产率得到(η2-N,C-pyridyl)Mo(PMe3)4H
  参考文献：
  名称：

  Coordination chemistry of molybdenum relevant to hydrodenitrogenation: Reactivity of Mo(PMe3)6 towards 6-membered heterocyclic aromatic nitrogen compounds involving C–H bond cleavage and η6-coordination

  摘要：

  The reactivity of Mo(PMe(3))(6) towards 6-membered heterocyclic aromatic nitrogen compounds, namely pyridine, pyrazine, pyrimidine and triazine, has been investigated as part of an effort to define the coordination chemistry of molybdenum relevant to hydrodenitrogenation. For example, Mo(PMe(3))(6) reacts with pyridine to yield initially (eta(2)-N,C-pyridyl)Mo(PMe(3))(4)H, an uncommon example of an eta(2)-pyridyl-hydride complex. The formation of (eta(2)-N,C-pyridyl)Mo(PMe(3))(4)H is reversible and treatment with PMe(3) regenerates Mo(PMe(3))(6) and pyridine. At elevated temperatures, (eta(2)-N,C-pyridyl)Mo(PMe(3))(4)H dissociates PMe(3) and converts to the eta(6)-pyridine complex (eta(6)-pyridine) Mo(PMe(3))(3). Pyrazine, pyrimidine and 1,3,5-triazine likewise react with Mo(PMe(3))(6) to yield (eta(2)-N,C-pyrazinyl)Mo(PMe(3))(4)H, (eta(2)-N,C-pyrimidinyl)Mo(PMe(3))(4)H and (eta(2)-N,C-triazinyl)Mo(PMe(3))(4)H, respectively. At elevated temperatures (eta(2)-N,C-pyrazinyl) Mo(PMe(3))(4)H and (eta(2)-N,C-pyrimidinyl) Mo(PMe(3))(4)H dissociate PMe(3) and convert to (eta(6)-pyrazine)Mo(PMe(3))(3) and (eta(6)-pyrimidine) Mo(PMe(3))(3) in which the heterocycle coordinates to molybdenum in an unprecedented eta(6)-manner. (C) 2007 Published by Elsevier B.V.

  DOI：

  10.1016/j.ica.2007.10.048

文献信息

• The Reactivity of Mo(PMe₃)₆ towards Heterocyclic Nitrogen Compounds:  Transformations Relevant to Hydrodenitrogenation
  作者：Guang Zhu、Joseph M. Tanski、David G. Churchill、Kevin E. Janak、Gerard Parkin

  DOI：10.1021/ja028512w

  日期：2002.11.1

  The reactions of Mo(PMe3)6 towards a variety of five- and six-membered heterocyclic nitrogen compounds (namely, pyrrole, indole, carbazole, pyridine, quinoline, and acridine) have been studied to provide structural models for the coordination of these heterocycles to the molybdenum centers of hydrodenitrogenation catalysts. Pyrrole reacts with Mo(PMe3)6 to yield the eta5-pyrrolyl derivative (eta5-pyr)Mo(PMe3)3H, while indole gives sequentially (eta1-indolyl)Mo(PMe3)4H, (eta5-indolyl)Mo(PMe3)3H, and (eta6-indolyl)Mo(PMe3)3H, with the latter representing the first example of a structurally characterized complex with an eta6-indolyl ligand. Likewise, carbazole reacts with Mo(PMe3)6 to give (eta6-carbazolyl)Mo(PMe3)3H with an eta6-carbazolyl ligand. The reactions of Mo(PMe3)6 with six-membered heterocyclic nitrogen compounds display interesting differences in the nature of the products. Thus, Mo(PMe3)6 reacts with pyridine to give an eta2-pyridyl derivative [eta2-(C5H4N)]Mo(PMe3)4H as a result of alpha-C-H bond cleavage, whereas quinoline and acridine give products of the type (eta6-ArH)Mo(PMe3)3 in which both ligands coordinate in an eta6-manner. For the reaction with quinoline, products with both carbocyclic and heterocyclic coordination modes are observed, namely [eta6-(C6)-quinoline]Mo(PMe3)3 and [eta6-(C5N)-quinoline]Mo(PMe3)3, whereas only carbocyclic coordination is observed for acridine.