tetra(5-tert-butylpyrazino)porphyrazine | 1127415-29-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: tetra(5-tert-butylpyrazino)porphyrazine
• 英文别名: Tetra(5-t-butylpyrazino)porphyrazine；6,15,24,33-tetratert-butyl-2,5,8,11,14,17,20,23,26,29,32,35,37,38,39,40-hexadecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
• CAS: 1127415-29-5
• 化学式: C₄₀H₄₂N₁₆
• 分子量: 746.881
• InChiKey: YQBZMCMPAPHCHK-UHFFFAOYSA-N

物化性质

• 密度：
  1.356±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  56
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  212
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  tetra(5-tert-butylpyrazino)porphyrazine 、 tris(acetylacetonato)erbium(III) 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.25h， 以66%的产率得到acetylacetonato(2²,7²,12²,17²-tetra-tert-butyltetrapyrazino[b,g,l,q]-5,10,15,20-tetraazaporphyrinato)erbium(III)
  参考文献：
  名称：

  Synthesis and properties of lanthanide complexes with tetrapyrazinoporphyrazine and its substituted derivatives

  摘要：

  Reactions of dicyanopyrazine and its tert-butyl-, diphenyl-, and dipyridyl-substituted derivatives with erbium, thulium, ytterbium, and lutetium chlorides, acetates, and acetylacetonates gave the corresponding tetrapyrazinoporphyrazine metal complexes which were characterized by elemental analyses, and IR, H-1 NMR, and electronic absorption spectra. The stability of the complexes to thermooxidative decomposition in air was also studied.

  DOI：

  10.1134/s1070363207110175