[NbF4(guanine)2][NbF6] | 1335307-24-8

• 英文名称: [NbF4(guanine)2][NbF6]
• CAS: 1335307-24-8
• 化学式: C₁₀H₁₀F₄N₁₀NbO₂*F₆Nb
• 分子量: 678.052
• InChiKey: UFWNJXIYZQJLFR-UHFFFAOYSA-D

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

• 作为产物：
  描述：

  氟化铌(V) 、 鸟嘌呤 以 乙腈 为溶剂， 以76%的产率得到[NbF4(guanine)2][NbF6]
  参考文献：
  名称：

  The reactivity of NbX5 (X=F, Cl) with lactons, lactams, and the synthesis of the first nucleobase-containing niobium complex

  摘要：

  NbX5 (X = F, 1a; X = Cl, 1b) reacted with gamma-butyrolactone (but), epsilon-caprolactam (cap), delta-valerolactam (val) in 1:1 M ratio in chlorinated solvent, affording either the neutral coordination adducts NbCl5L (L = but, 2a; L = val, 2b) or the ionic ones [NbX4L2][NbX6] (X = F, L = but, 3a; X = F, L = val, 3b; X = F, L = cap, 3c; X = Cl, L = cap, 3d). The reaction of 1a with equimolar amount of guanine (gua) in CH3CN resulted in the formation of the complex [NbF4(gua)(2)][NbF6], 3e. The addition of two equivalents of organic substrate to 1 gave selectively the compounds NbCl5L2 (L = but, 4a; L = val, 4b) or [NbF4L4][NbF6] (L = but, 5a; L = val, 5b; L = cap, 5c). The 1: 2 M reaction of 1b with e-caprolactam proceeded with C-N bond activation and afforded the derivative [NbCl4(cap)(NH(CH2)(5)C(O)OC(CH2)(5)NH][NbCl6], 6, in high yield. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.06.006