[U(Ph)(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinato)(pentamethylcyclopentadienyl)2] | 1226510-65-1

• 英文名称: [U(Ph)(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinato)(pentamethylcyclopentadienyl)2]
• CAS: 1226510-65-1
• 化学式: C₃₃H₄₇N₃U
• 分子量: 723.785
• InChiKey: YDOHXIAFXYZICL-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(Ph)(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinato)(pentamethylcyclopentadienyl)2] 以 氘代四氢呋喃 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 、 苯基锂 以 四氢呋喃 为溶剂， 以90%的产率得到[U(Ph)(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