17-benzyloxy-2,5,8,15,19-pentaoxatricyclo[18.4.0.0(9,14)]tetracosa-9,11,13,20,22,24-hexaene | 125677-00-1

• 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: 17-benzyloxy-2,5,8,15,19-pentaoxatricyclo[18.4.0.0(9,14)]tetracosa-9,11,13,20,22,24-hexaene
• 英文别名: 4-Phenylmethoxy-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaene；4-phenylmethoxy-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaene
• CAS: 125677-00-1
• 化学式: C₂₆H₂₈O₆
• 分子量: 436.505
• InChiKey: ROHYIMLPMYKEHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  lead(II) nitrate 、 17-benzyloxy-2,5,8,15,19-pentaoxatricyclo[18.4.0.0(9,14)]tetracosa-9,11,13,20,22,24-hexaene 以 甲醇 、 氯仿 、 水 为溶剂， 生成 (17-benzyloxy-2,5,8,15,19-pentaoxatricyclo[18.4.0.0(9,14)]tetracosa-9,11,13,20,22,24-hexaene-κ(6)O)bis(nitrato-O,O')lead(II)
  参考文献：
  名称：

  (Benzylsym-dibenzo-16-crown-5 ether)lead(II) Dinitrate

  摘要：

  The title complex, (17-benzyloxy-2,5,8,15,19-pentaoxatricyclo[18.4.0.0(9,14)]tetracosa-9,11,13,20,22,24-hexaene-kappa(6)O)bis(nitrato-O,O') lead(II), [Pb(NO3)(2)(C26H28O6)], prepared from benzyl sym-dibenzo-16-crown-5 ether and Pb(NO3)(2) in aqueous CHCl3/MeOH at room temperature, has decacoordinate geometry for the Pb2+ ion, with bonds to the five ring O atoms, the side-arm ether O atom and two O atoms of each of the two coordinated nitrate ions. The four Pb-O bond lengths for the nitrate ligands are considerably shorter than those for the crown ether.

  DOI：

  10.1107/s0108270196015739
• 作为产物：
  描述：

  氯化苄 、 sym-(hydroxy)dibenzo-16-crown-5 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以91%的产率得到17-benzyloxy-2,5,8,15,19-pentaoxatricyclo[18.4.0.0(9,14)]tetracosa-9,11,13,20,22,24-hexaene
  参考文献：
  名称：

  Estimation of Selectivities and Relative Cationization Efficiencies of Different[Crown+M]+ by Electrospray Mass Spectrometry

  摘要：

  The selectivity of the lariat crown ethers toward metal ions can be estimated easily using electrospray mass spectrometry. Two lariat crown ethers in the sym-dibenzo-16-crown-5 series were shown to be more selective towards Li+ than Na+ ions in methanol. Calibration for the relative cationization efficiencies of the metallated crowns [crown + M](+) was shown to be essential for comparison of the selectivities in ligand-metal interactions. The two sym-dibenzo-16-crown-5 ethers show the best selectivity towards Li+ ion in methanol with their Li+ complexes being the most stable among Li+, Na+ and K+ ions. (C) 1997 by John Wiley & Sons, Ltd.

  DOI：

  10.1002/(sici)1096-9888(199704)32:4<432::aid-jms497>3.0.co;2-a

文献信息

• Estimation of Selectivities and Relative Cationization Efficiencies of Different[Crown+M]+ by Electrospray Mass Spectrometry
  作者：Dun-Shyurng Young、Huan-Yi Hung、Lilian Kao Liu

  DOI：10.1002/(sici)1096-9888(199704)32:4<432::aid-jms497>3.0.co;2-a

  日期：1997.4

  The selectivity of the lariat crown ethers toward metal ions can be estimated easily using electrospray mass spectrometry. Two lariat crown ethers in the sym-dibenzo-16-crown-5 series were shown to be more selective towards Li+ than Na+ ions in methanol. Calibration for the relative cationization efficiencies of the metallated crowns [crown + M](+) was shown to be essential for comparison of the selectivities in ligand-metal interactions. The two sym-dibenzo-16-crown-5 ethers show the best selectivity towards Li+ ion in methanol with their Li+ complexes being the most stable among Li+, Na+ and K+ ions. (C) 1997 by John Wiley & Sons, Ltd.
• (Benzyl<i>sym</i>-dibenzo-16-crown-5 ether)lead(II) Dinitrate
  作者：C.-S. Lin、L. K. Liu、C.-H. Ueng

  DOI：10.1107/s0108270196015739

  日期：1997.5.15

  The title complex, (17-benzyloxy-2,5,8,15,19-pentaoxatricyclo[18.4.0.0(9,14)]tetracosa-9,11,13,20,22,24-hexaene-kappa(6)O)bis(nitrato-O,O') lead(II), [Pb(NO3)(2)(C26H28O6)], prepared from benzyl sym-dibenzo-16-crown-5 ether and Pb(NO3)(2) in aqueous CHCl3/MeOH at room temperature, has decacoordinate geometry for the Pb2+ ion, with bonds to the five ring O atoms, the side-arm ether O atom and two O atoms of each of the two coordinated nitrate ions. The four Pb-O bond lengths for the nitrate ligands are considerably shorter than those for the crown ether.