12,25-Dimethyl-5,6,18,19-tetraphenyl-3,4,7,8,16,17,20,21-octazatricyclo[21.3.1.110,14]octacosa-1(26),2,4,6,8,10,12,14(28),15,17,19,21,23(27),24-tetradecaene-27,28-diol | 1310546-06-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 12,25-Dimethyl-5,6,18,19-tetraphenyl-3,4,7,8,16,17,20,21-octazatricyclo[21.3.1.110,14]octacosa-1(26),2,4,6,8,10,12,14(28),15,17,19,21,23(27),24-tetradecaene-27,28-diol
• CAS: 1310546-06-5
• 化学式: C₄₆H₃₆N₈O₂
• 分子量: 732.844
• InChiKey: CDXHRTPUUBIQAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  56
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  144
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  苯偶酰二腙 、 2,6-二甲酰-4-甲基苯酚 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 以70%的产率得到12,25-Dimethyl-5,6,18,19-tetraphenyl-3,4,7,8,16,17,20,21-octazatricyclo[21.3.1.110,14]octacosa-1(26),2,4,6,8,10,12,14(28),15,17,19,21,23(27),24-tetradecaene-27,28-diol
  参考文献：
  名称：

  Synthesis, spectral characterization and in vitro microbiological evaluation of novel glyoxal, biacetyl and benzil bis-hydrazone macrocyclic Schiff bases and their Co(II), Ni(II) and Cu(II) complexes

  摘要：

  A series of binuclear Co(II), Ni(II) and Cu(II) complexes were synthesized by the template condensation of glyoxal, biacetyl or benzil bis-hydrazide, 2,6-diformyl-4-methylphenol and Co(11), Ni(II) or Cu(II) chloride in a 2:2:2 M ratio in ethanol. These 22-membered macrocyclic complexes were characterized by elemental analyses, magnetic, molar conductance, spectral, thermal and fluorescence studies. Elemental analyses suggest the complexes have a 2:1 stoichiometry of the type (M2LX2]center dot nH(2)O and [Ni(2)LX(2)2H(2)O]center dot nH(2)O (where M = Co(II) and Cu(II); L = H2L1, H2L2 and H2L3; X = Cl; n = 2). From the spectroscopic and magnetic studies, it has been concluded that the Co(11) and Cu(11) complexes display a five coordinated square pyramidal geometry and the Ni(II) complexes have a six coordinated octahedral geometry. The Schiff bases and their metal complexes have also been screened for their antibacterial and antifungal activities by the MIC method. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.03.016