1,4-di(N,N-diisopropylacetamido)-2,3(1H,4H)-quinoxalinedione | 955404-60-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1,4-di(N,N-diisopropylacetamido)-2,3(1H,4H)-quinoxalinedione
• 英文别名: 2-[4-[2-[di(propan-2-yl)amino]-2-oxoethyl]-2,3-dioxoquinoxalin-1-yl]-N,N-di(propan-2-yl)acetamide
• CAS: 955404-60-1
• 化学式: C₂₄H₃₆N₄O₄
• 分子量: 444.574
• InChiKey: UZSWUSHFJKEULB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  81.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  terbium(III) nitrate hexahydrate 、 1,4-di(N,N-diisopropylacetamido)-2,3(1H,4H)-quinoxalinedione 以 乙腈 为溶剂， 生成 [Tb2(1,4-di(N,N-diisopropylacetamido)-2,3(1H,4H)-quinoxalinedione)2(NO3)6(H2O)2]*H2O
  参考文献：
  名称：

  Preparation, spectroscopic properties of 1,4-di (N,N-diisopropylacetamido)-2,3(1H,4H)-quinoxalinedione (L) lanthanide complexes and the supramolecular structure of [Nd2L2(NO3)6(H2O)2]·H2O

  摘要：

  The reaction of lanthanide nitrate with 1,4-di (N,N-diisopropylacetamido)-2,3(1H,4H)-quinoxalinedione (L) yields six novel Ln(III) complexes ([Ln(2)L(2)(NO3)(6)(H2O)(2)] center dot H2O) which are characterized by elemental analysis, thermogravimetric analysis (TGA), conductivity measurements, IR, electronic and H-1 NMR spectroscopies. A new quinoxalinedione-based ligand is used as antenna ligand to sensitize the emission of lanthanide cations. The lowest triplet state energy level of the ligand in the nitrate complex matches better to the resonance level of Eu(III) and Sm(III) than Tb(III) and Dy(III) ion. The f-f fluorescence is induced in the EU3+ and SM3+ complexes by exciting into the pi-pi* absorptions of the ligand in the UV. Furthermore, the crystal structures of a novel binuclear complex [Nd2L2(NO3)(6)(HO)(2)]center dot H2O has been determined by single-crystal X-ray diffraction. The binuclear [Nd2L2(NO3)(6)(H2O)(2)] center dot H2O Complex units are linked by the intermolecular hydrogen bonds and pi-pi interactions to form a two-dimensional (2-13) layer supramolecule. (c) 2007 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2007.06.034