| 1110783-28-2

• 分子结构分类: 有机化合物 - 有机杂环化合物
• CAS: 1110783-28-2
• 化学式: C₄₂H₄₈N₂₄O₁₂
• 分子量: 1081.0
• InChiKey: IFQOQXHJENLJHG-KCNYCZBESA-N

反应信息

• 作为反应物：
  描述：

  、 6-苄氨基嘌呤 以 水 为溶剂， 反应 20.0h， 生成
  参考文献：
  名称：

  Host–guest interactions of 6-benzyladenine with normal and modified cucurbituril: ¹H NMR, UV absorption spectroscopy and phase solubility methods

  摘要：

  Guest-host inclusion complexes between 6-benzyladenine (6-BA), cucurbit[7]uril (Q[7]), symmetrical tetramethylcucurbit[6]uril (TMeQ[6]) and meta-hexamethyl-substituted cucurbit[6]uril (HMeQ[6]) in aqueous solution were investigated by 1 H NMR, UV absorption spectroscopy and phase solubility studies. The H-1 NMR spectra analysis revealed that the hosts selectively bound the phenyl moiety of the guests. Absorption spectroscopic analysis defined the stability of the host-guest inclusion complexes. A host: guest ratio of 1: 1 was measured quantitatively as (5.63 +/- 0.26) x 10(4), (1.94 +/- 0.17) x 10(3) and (2.89 +/- 0.23) x 10(3) mol L-1 for the Q[7]-6-BA, TMeQ[6]-6-BA and HMeQ[6]-6-BA systems, respectively. Phase solubility diagrams were analysed through rigorous procedures to obtain estimates of the complex formation constants for Q[n]-6-BA complexation. The formation constants were (1.29 +/- 0.24) x 10(4) Lmol(-1) for Q[7]-6-BA, (3.20 +/- 0.17) x 10(3) Lmol(-1) for TMeQ[6]-6-BA and (3.52 +/- 1.01) x 10(3) Lmol(-1) for TMeQ[6]-6-BA. Furthermore, phase solubility studies showed that 6-BA solubility increased as a function of Q[7], TMeQ[6] and HMeQ[6] concentrations. The thermodynamic parameters of the complex formation were also determined. The formation of inclusion complexes between 6-BA and Q[7] was enthalpy controlled, suggesting that hydrophobic and van der Waals interactions were the main driving forces. Our results demonstrated that the complexation of 6-BA with Q[n] could be used to improve the solubility of 6-BA.

  DOI：

  10.1080/10610278.2011.563856