[U(CCPh)(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinato)(pentamethylcyclopentadienyl)2] | 1226510-64-0

• 英文名称: [U(CCPh)(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinato)(pentamethylcyclopentadienyl)2]
• 英文别名: (C5Me5)2(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinato)U(CCPh)
• CAS: 1226510-64-0
• 化学式: C₃₅H₄₇N₃U
• 分子量: 747.807
• InChiKey: ZPMVVKGZTWMBCO-UHFFFAOYSA-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：

  copper(l) iodide 、 [U(CCPh)(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinato)(pentamethylcyclopentadienyl)2] 以 氘代苯 为溶剂， 生成 [UI(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinato)(pentamethylcyclopentadienyl)2]
  参考文献：
  名称：

  Utility of the 1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidinato Ligand, (hpp)⁻, in Stabilizing Uranium Metallocene Mono-Alkyl and “Tuck-in” Complexes

  摘要：

  Monoalkyl uranium chemistry has been probed by reacting the metallocene chloride complex (C5Me5)(2)(hpp)UCl, 1, (hpp)(-) = 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinato, with alkyl lithium reagents. Complex I reacts with LiMe, LiC equivalent to CPh, LiPh, and LiEt to generate (C5Me5)(2)(hpp)UMe, 2, (C5Me5),(hpp)U(C equivalent to CPh), 3, (C5Me5)(2)(hpp)UPh, 4, and (C5Me5)(2)(hpp)UEt, 5, respectively. Complexes 2-5 react with Cul to form the iodide complex (C5Me5)(7)(hpp)UI, 6, and methane, phenylacetylene, benzene, and ethane, respectively. Attempts to make a neopentyl analogue of 2-5 from the reaction of 1 with neopentyllithium yielded the "tuck-in" complex (C5Me5)(eta(5):eta(1)-C5Me4CH2)(hpp)U, 7. Complex 7 can also be synthesized by heating 5 to 70 degrees C in a reaction that forms ethane as a byproduct.

  DOI：

  10.1021/om100076s
• 作为产物：
  描述：

  (C₅Me₅)₂U(1,3,4,6,7,8-hexahydro-2H-pyrimido(1,2-a)pyrimidine)Cl 、 lithium phenylacetylide 以 四氢呋喃 为溶剂， 以92%的产率得到[U(CCPh)(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinato)(pentamethylcyclopentadienyl)2]
  参考文献：
  名称：

  Utility of the 1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidinato Ligand, (hpp)⁻, in Stabilizing Uranium Metallocene Mono-Alkyl and “Tuck-in” Complexes

  摘要：

  Monoalkyl uranium chemistry has been probed by reacting the metallocene chloride complex (C5Me5)(2)(hpp)UCl, 1, (hpp)(-) = 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinato, with alkyl lithium reagents. Complex I reacts with LiMe, LiC equivalent to CPh, LiPh, and LiEt to generate (C5Me5)(2)(hpp)UMe, 2, (C5Me5),(hpp)U(C equivalent to CPh), 3, (C5Me5)(2)(hpp)UPh, 4, and (C5Me5)(2)(hpp)UEt, 5, respectively. Complexes 2-5 react with Cul to form the iodide complex (C5Me5)(7)(hpp)UI, 6, and methane, phenylacetylene, benzene, and ethane, respectively. Attempts to make a neopentyl analogue of 2-5 from the reaction of 1 with neopentyllithium yielded the "tuck-in" complex (C5Me5)(eta(5):eta(1)-C5Me4CH2)(hpp)U, 7. Complex 7 can also be synthesized by heating 5 to 70 degrees C in a reaction that forms ethane as a byproduct.

  DOI：

  10.1021/om100076s

文献信息

• Reactivity of Tuck-in and Tuck-over Uranium Metallocene Complexes
  作者：Elizabeth Montalvo、Kevin A. Miller、Joseph W. Ziller、William J. Evans

  DOI：10.1021/om1007538

  日期：2010.9.27

  The reactivity of the uranium tuck-in and tuck-over cyclopentadienyl moieties [η5:η1-C5Me4CH2]U}2+ and U[μ-η5:η1-C5Me4CH2]U}6+, respectively, has been investigated by examining the reactivity of (C5Me5)U[μ-η5:η1:η1-C5Me3(CH2)2](μ-H)2U(C5Me5)2, 1, and (C5Me5)(η5:η1-C5Me4CH2)(hpp)U [(hpp)− = 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinato], 2, with hydrogen, silyl halide, sulfide, amine, and hydrocarbon

  的反应性的铀折入和折入在环戊二烯基的部分[η 5：η 1 -C 5我4 CH 2 ] U】2+和U [μ-η 5：η 1 -C 5我4 CH 2 ] U】6+分别已通过检查（C的反应性研究5我5）U [μ-η 5：η 1：η 1 -C 5我3（CH 2）2 ]（μ-H ）2 U（C 5我5）2，1，和（C 5我5）（η 5：η 1 -C 5我4 CH 2）（HPP）U [（HPP）- = 1,3,4,6,7,8-六氢-2 H-嘧啶基[1,2- a ]嘧啶基，2，与氢，甲硅烷基卤，硫化物，胺和烃类试剂一起使用。的反应2，其具有单一折进反应性位点，提供了具有有价值的比较1，其中两个氢化物配体的存在以及褶皱和褶皱部分均会导致产生多次转化的产物。既1和2用H反应2，形成氢化物，即[（C 5我5）2 UH 2 ] 2 / [（C 5我5）2 UH] 2平衡混合物和（C 5我5）2（ hpp）UH