[MoCl3(4-t-butyl-2,6-bis(di-t-butylphosphino)methylpyridine)] | 1449570-20-0

• 英文名称: [MoCl3(4-t-butyl-2,6-bis(di-t-butylphosphino)methylpyridine)]
• 英文别名: [MoCl₃(4-t-butyl-2,6-bis(di-t-butylphosphino)methylpyridine)]；[MoCl₃(4-^tBu-PNP)]
• CAS: 1449570-20-0
• 化学式: C₂₇H₅₁Cl₃MoNP₂
• 分子量: 653.955
• InChiKey: NKKCWPCHOKXKPQ-UHFFFAOYSA-K

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：

  正己烷 、 [MoCl3(4-t-butyl-2,6-bis(di-t-butylphosphino)methylpyridine)] 、 氮 在 sodium amalgam 作用下， 以 四氢呋喃 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 12.0h， 以48%的产率得到[Mo(N₂)₂(4-t-butyl-2,6-bis(di-t-butylphosphino)methylpyridine)]₂(μ-N₂)*0.5C₆H₁₄
  参考文献：
  名称：

  Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum–Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand

  摘要：

  A series of dinitrogen-bridged dimolybdenum-dinitrogen complexes bearing 4-substituted PNP-pincer ligands are synthesized by the reduction of the corresponding molybdenum trichloride complexes under 1 atm of molecular dinitrogen. In accordance with a theoretical study, the catalytic activity is enhanced by the introduction of an electron-donating group to the pyridine ring of PNP-pincer ligand, and the complex bearing 4-methoxy-substituted PNP-pincer ligands is found to work as the most effective catalyst, where 52 equiv of ammonia are produced based on the catalyst (26 equiv of ammonia based on each molybdenum atom of the catalyst), together with molecular dihydrogen as a side-product. Time profiles for the catalytic reactions indicate that the rates of the formation of ammonia and molecular dihydrogen depend on the nature of the substituent on the PNP-pincer ligand of the complexes. The formation of ammonia and molecular dihydrogen is complementary in the reaction system.

  DOI：

  10.1021/ja5044243
• 作为产物：
  描述：

  二叔丁基氯化膦 、 4-tert-butyl-2,6-dimethylpyridine 在 正丁基锂 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 为溶剂， 反应 17.0h， 生成 [MoCl3(4-t-butyl-2,6-bis(di-t-butylphosphino)methylpyridine)]
  参考文献：
  名称：

  Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum–Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand

  摘要：

  A series of dinitrogen-bridged dimolybdenum-dinitrogen complexes bearing 4-substituted PNP-pincer ligands are synthesized by the reduction of the corresponding molybdenum trichloride complexes under 1 atm of molecular dinitrogen. In accordance with a theoretical study, the catalytic activity is enhanced by the introduction of an electron-donating group to the pyridine ring of PNP-pincer ligand, and the complex bearing 4-methoxy-substituted PNP-pincer ligands is found to work as the most effective catalyst, where 52 equiv of ammonia are produced based on the catalyst (26 equiv of ammonia based on each molybdenum atom of the catalyst), together with molecular dihydrogen as a side-product. Time profiles for the catalytic reactions indicate that the rates of the formation of ammonia and molecular dihydrogen depend on the nature of the substituent on the PNP-pincer ligand of the complexes. The formation of ammonia and molecular dihydrogen is complementary in the reaction system.

  DOI：

  10.1021/ja5044243