Tert-butyl-[2-[2-[2-[2-[tert-butyl(oxido)amino]-4-phenylphenoxy]ethoxy]ethoxy]-5-phenylphenyl]-oxoazanium | 1386320-08-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Tert-butyl-[2-[2-[2-[2-[tert-butyl(oxido)amino]-4-phenylphenoxy]ethoxy]ethoxy]-5-phenylphenyl]-oxoazanium
• 英文别名: tert-butyl-[2-[2-[2-[2-[tert-butyl(oxido)amino]-4-phenylphenoxy]ethoxy]ethoxy]-5-phenylphenyl]-oxoazanium
• CAS: 1386320-08-6
• 化学式: C₃₆H₄₂N₂O₅
• 分子量: 582.74
• InChiKey: JWENZUYPNHNEIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  43
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  74.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Tert-butyl-[2-[2-[2-[2-[tert-butyl(oxido)amino]-4-phenylphenoxy]ethoxy]ethoxy]-5-phenylphenyl]-oxoazanium 在 Ca(hfac)2 作用下， 以 正庚烷 、 二氯甲烷 为溶剂， 以43%的产率得到[Ca(hfac)2(Ph2bNO)]
  参考文献：
  名称：

  Polyether-bridged bis(tert-butyl nitroxide) paramagnetic hosts showing receptor ability to calcium(II) and barium(II) ions

  摘要：

  The title compounds, Ph2bNO and Ph3bNO, were designed as a biradical paramagnetic host, and their chelation ability was confirmed by inclusion of a size-matched alkaline-earth metal ion. The crystal structures of [Ca(hfac)(2)(Ph2bNO)] and [Ba(hfac)(2)(Ph3bNO)] were determined, where Hhfac stands for 1,1,1,5,5,5-hexafluoropentane-2,4-dione. The solution electron paramagnetic resonance spectra showed switching behavior. Five lines were found for Ph3bNO and charecterized as the hyperfine splitting due to the two nitrogen atoms. After addition of barium(II) ion, the spectrum turned to be three lines. Removal of the barium ion recovered the five line pattern. The present system can be regarded as a reversible magnetic-coupling switch by means of a supramolecular technique. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.05.065
• 作为产物：
  描述：

  N,N'-(((oxybis(ethane-2,1-diyl))bis(oxy))bis([1,1'-biphenyl]-4,3-diyl))bis(N-(tert-butyl)hydroxylamine) 在 silver(l) oxide 作用下， 以 二氯甲烷 为溶剂， 以61%的产率得到Tert-butyl-[2-[2-[2-[2-[tert-butyl(oxido)amino]-4-phenylphenoxy]ethoxy]ethoxy]-5-phenylphenyl]-oxoazanium
  参考文献：
  名称：

  Polyether-bridged bis(tert-butyl nitroxide) paramagnetic hosts showing receptor ability to calcium(II) and barium(II) ions

  摘要：

  The title compounds, Ph2bNO and Ph3bNO, were designed as a biradical paramagnetic host, and their chelation ability was confirmed by inclusion of a size-matched alkaline-earth metal ion. The crystal structures of [Ca(hfac)(2)(Ph2bNO)] and [Ba(hfac)(2)(Ph3bNO)] were determined, where Hhfac stands for 1,1,1,5,5,5-hexafluoropentane-2,4-dione. The solution electron paramagnetic resonance spectra showed switching behavior. Five lines were found for Ph3bNO and charecterized as the hyperfine splitting due to the two nitrogen atoms. After addition of barium(II) ion, the spectrum turned to be three lines. Removal of the barium ion recovered the five line pattern. The present system can be regarded as a reversible magnetic-coupling switch by means of a supramolecular technique. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.05.065

文献信息

• Polyether-bridged bis(tert-butyl nitroxide) paramagnetic hosts showing receptor ability to calcium(II) and barium(II) ions
  作者：Sayaka Osada、Naoki Hirosawa、Takayuki Ishida

  DOI：10.1016/j.tet.2012.05.065

  日期：2012.8

  The title compounds, Ph2bNO and Ph3bNO, were designed as a biradical paramagnetic host, and their chelation ability was confirmed by inclusion of a size-matched alkaline-earth metal ion. The crystal structures of [Ca(hfac)(2)(Ph2bNO)] and [Ba(hfac)(2)(Ph3bNO)] were determined, where Hhfac stands for 1,1,1,5,5,5-hexafluoropentane-2,4-dione. The solution electron paramagnetic resonance spectra showed switching behavior. Five lines were found for Ph3bNO and charecterized as the hyperfine splitting due to the two nitrogen atoms. After addition of barium(II) ion, the spectrum turned to be three lines. Removal of the barium ion recovered the five line pattern. The present system can be regarded as a reversible magnetic-coupling switch by means of a supramolecular technique. (C) 2012 Elsevier Ltd. All rights reserved.