26,28-Bis[2-(2-iodoethoxy)ethoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-25,27-diol | 1415485-92-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 26,28-Bis[2-(2-iodoethoxy)ethoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-25,27-diol
• CAS: 1415485-92-5
• 化学式: C₃₆H₃₈I₂O₆
• 分子量: 820.503
• InChiKey: IICQNDOUAQRGLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  44
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  77.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  26,28-Bis[2-(2-iodoethoxy)ethoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-25,27-diol 、 disodium cis-1,2-dicyano-1,2-ethylenedithiolate 以 乙腈 为溶剂， 反应 144.0h， 以28%的产率得到26,28-[34,37-dithia-29,32,40,43-tetraoxa-35-en-carbodinitrile]calix[4]arene-25,27-diol
  参考文献：
  名称：

  Synthesis and characterization of porphyrazines as novel extractants for the removal of Ag(I) and Hg(II) from aqueous solution

  摘要：

  In this study, the synthesis and characterization of new metal-free and metallo-porphyrazines, peripherally and symmetrically derived from 1,3-alternate26,28-[34,37-dithia-29,32,40,43-tetraoxa-35-en]calix [4]arene-25,27-diol, were performed. Dicyano compound was prepared starting from cis-1,2-dicyano-12-ethylenedithiolate disodium salt and 1,3-alternate 26,28-bis[2-(2-iodoethoxy)ethoxy]calix[4]arene-25,27-diol, which was prepared by the conversion reaction of 26,28-bis[2-(2-chloroethoxy)ethoxy] calix [4]arene-25,27-diol with Nal. The demetalation of magnesium porphyrazine was achieved by the treatment with trifluoroacetic acid that resulted in the metal-free derivative. The solvent extraction of heavy metal cations such as Ag(I), Hg(II), Cu(II), Mn(II), Cr(III), Ni(II), Pb(II) and Zn(II) by the dicyano compounds and its derived metal-free and magnesium porphyrazines was investigated. From the results of two phase extraction studies on the novel compounds, one can conclude that the metal-free and metallo-porphyrazines show very high selectivity for silver and mercury ions when compared with other metal ions. The novel compounds were characterized using the techniques of UV-vis, H-1, C-13 NMR, IR, MS and elemental analysis. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.09.002
• 作为产物：
  描述：

  25,27-bis(5-chloro-3-oxapentyloxy)calix[4]arene 在 sodium iodide 作用下， 以 乙腈 为溶剂， 反应 168.0h， 以84.25%的产率得到26,28-Bis[2-(2-iodoethoxy)ethoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-25,27-diol
  参考文献：
  名称：

  Synthesis and characterization of porphyrazines as novel extractants for the removal of Ag(I) and Hg(II) from aqueous solution

  摘要：

  In this study, the synthesis and characterization of new metal-free and metallo-porphyrazines, peripherally and symmetrically derived from 1,3-alternate26,28-[34,37-dithia-29,32,40,43-tetraoxa-35-en]calix [4]arene-25,27-diol, were performed. Dicyano compound was prepared starting from cis-1,2-dicyano-12-ethylenedithiolate disodium salt and 1,3-alternate 26,28-bis[2-(2-iodoethoxy)ethoxy]calix[4]arene-25,27-diol, which was prepared by the conversion reaction of 26,28-bis[2-(2-chloroethoxy)ethoxy] calix [4]arene-25,27-diol with Nal. The demetalation of magnesium porphyrazine was achieved by the treatment with trifluoroacetic acid that resulted in the metal-free derivative. The solvent extraction of heavy metal cations such as Ag(I), Hg(II), Cu(II), Mn(II), Cr(III), Ni(II), Pb(II) and Zn(II) by the dicyano compounds and its derived metal-free and magnesium porphyrazines was investigated. From the results of two phase extraction studies on the novel compounds, one can conclude that the metal-free and metallo-porphyrazines show very high selectivity for silver and mercury ions when compared with other metal ions. The novel compounds were characterized using the techniques of UV-vis, H-1, C-13 NMR, IR, MS and elemental analysis. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.09.002