5,17-Dithia-2,8,14,20-tetrazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene-3,7,15,19-tetrone | 1084759-44-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻嗪类
• 英文名称: 5,17-Dithia-2,8,14,20-tetrazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene-3,7,15,19-tetrone
• CAS: 1084759-44-3
• 化学式: C₂₀H₂₀N₄O₄S₂
• 分子量: 444.535
• InChiKey: LSZNNLBHNWCRKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  30
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  167
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5,17-Dithia-2,8,14,20-tetrazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene-3,7,15,19-tetrone 、 cobalt(II) perchlorate hexahydrate 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Template synthesis and characterization of host (nanopores of zeolite Y)/guest (Co(II)-tetraoxodithiatetraaza macrocyclic complexes) nanocomposite materials

  摘要：

  A series of Co(II) tetraoxodithiatetraaza macrocyclic complexes ([18]aneN(4)S(2), [20]aneN(4)S(2), Bzo(2)[18]aneN(4)S(2) and Bzo(2)[20]aneN(4)S(2)) have been encapsulated in the nanopores of zeolite Y by template condensation reaction. Co(II) complexes with tetraoxodithiatetraaza macrocyclic ligand were entrapped in the nanopores of zeolite Y by a two-steps process in the liquid phase: (i) ion-exchange of [bis(diamine)cobalt(II)] (diamine = 1,2-diaminoethane, 1,3-diaminopropane, 1,2-diaminobenzene, 1,3-diaminobenzene); [Co(N-N)(2)](2+)-NaY: in the nano-cavity of the zeolite, and (ii) in situ template condensation of the cobalt(II) precursor complex with thiodiglycolic acid. The mode of bonding and overall geometry of the complexes and new host/guest nanocomposite materials ([Co([18]aneN(4)S(2))](2+)-NaY, [Co([20]a-neN(4)S(2))](2+)-NaY, [Co(Bzo(2)[18]aneN(4)S(2))](2+)-NaY, [Co(Bzo(2)[20]aneN(4)S(2))(2+)-NaY) has been inferred through FT-IR, DRS and UV-Vis spectroscopic techniques, BET technique, molar conductance and magnetic moment data, XRD and elemental analysis, as well as nitrogen adsorption. The average number of encapsulated Co complexes per nano-cavity was determined to be 0.33 for the Co complexes-NaY. An octahedral geometry around the cobalt(II) ion is suggested for the complexes and new host/guest nanocomposite materials. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.07.008