[(trans-N,N'-dibenzylcyclam)ZrCl(NH(2,6-MePh))] | 1262962-75-3

• 英文名称: [(trans-N,N'-dibenzylcyclam)ZrCl(NH(2,6-MePh))]
• CAS: 1262962-75-3
• 化学式: C₃₂H₄₄ClN₅Zr
• 分子量: 625.412
• InChiKey: YHJQTTNSRSQJMG-UHFFFAOYSA-M

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：

  [(trans-N,N'-dibenzylcyclam)ZrCl(NH(2,6-MePh))] 在 MgClMe 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 以68%的产率得到[(trans-N,N'-dibenzylcyclam)Zr(N(2,6-MePh))]
  参考文献：
  名称：

  Intramolecular hydroamination catalysis using trans-N,N′-dibenzylcyclam zirconium complexes

  摘要：

  The syntheses of (Bn(2)Cyclam)Zr(NMe2)(2) (1), (Bn(2)Cyclam)Zr(NH2,6-MePh)Cl (2) and (Bn(2)Cyclam)Zr(N2,6-MePh) (3) are described. The reactivity of 1, 3, (Bn(2)Cyclam)Zr(CH2Ph)(2) (4) and ((C6H4CH2)(2)Cyclam)Zr (5) as hydroamination catalysts of aminoalkenes is reported. High conversions of the primary gem-disubstituted aminoalkenes in 5- or 6-member ring N-heterocycles were observed. Reactions of 1, 4 and 5 with CH2 = CHCH2CPh2CH2NH2 gave (Bn(2)Cyclam)Zr(NHR)(2) (6) (R = CH2CPh2CH2CH = CH2) that on heating converts sequentially into the mono-ortho-metallated species ((C6H4CH2)BnCyclam)Zr(NHR) (7) and the bis-ortho-metallated ((C6H4CH2)(2)Cyclam)Zr (5), simultaneously with the hydroamination product. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.08.039
• 作为产物：
  描述：

  ((1,8-dibenzyl)cyclam(2-))ZrCl2 、 lithium 2,6-dimethylanilide 以 四氢呋喃 为溶剂， 以74%的产率得到[(trans-N,N'-dibenzylcyclam)ZrCl(NH(2,6-MePh))]
  参考文献：
  名称：

  Intramolecular hydroamination catalysis using trans-N,N′-dibenzylcyclam zirconium complexes

  摘要：

  The syntheses of (Bn(2)Cyclam)Zr(NMe2)(2) (1), (Bn(2)Cyclam)Zr(NH2,6-MePh)Cl (2) and (Bn(2)Cyclam)Zr(N2,6-MePh) (3) are described. The reactivity of 1, 3, (Bn(2)Cyclam)Zr(CH2Ph)(2) (4) and ((C6H4CH2)(2)Cyclam)Zr (5) as hydroamination catalysts of aminoalkenes is reported. High conversions of the primary gem-disubstituted aminoalkenes in 5- or 6-member ring N-heterocycles were observed. Reactions of 1, 4 and 5 with CH2 = CHCH2CPh2CH2NH2 gave (Bn(2)Cyclam)Zr(NHR)(2) (6) (R = CH2CPh2CH2CH = CH2) that on heating converts sequentially into the mono-ortho-metallated species ((C6H4CH2)BnCyclam)Zr(NHR) (7) and the bis-ortho-metallated ((C6H4CH2)(2)Cyclam)Zr (5), simultaneously with the hydroamination product. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.08.039