4'-ethoxycarbonyl-benzo-18-crown-6 | 72216-46-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4'-ethoxycarbonyl-benzo-18-crown-6
• 英文别名: ethyl 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carboxylate
• CAS: 72216-46-7
• 化学式: C₁₉H₂₈O₈
• 分子量: 384.427
• InChiKey: XAZXKRWIQQFNLO-UHFFFAOYSA-N

物化性质

• 熔点：
  69 °C
• 沸点：
  523.9±50.0 °C(Predicted)
• 密度：
  1.099±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  27.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  81.68
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  4'-ethoxycarbonyl-benzo-18-crown-6 在 lithium aluminium tetrahydride 、 盐酸 、 水 作用下， 以 四氢呋喃 为溶剂， 以77%的产率得到4'-hydroxymethylbenzo-[18-crown-6]
  参考文献：
  名称：

  Synthesis and radical polymerisation of methacrylic monomers with crown ethers or their dipodal counterparts in the pendant structure

  摘要：

  The synthesis and radical polymerisation of methacrylic monomers with benzo-12-crown-4, benzo-15-crown-5, benzo-18-crown-6, and their dipodal counterparts in the ester residue is described. The radical polymerisation of the monomers in solution was carried out at different temperatures, and the polymerisation kinetics curves were obtained by direct measurement of the instantaneous monomer concentrations by nuclear magnetic resonance spectroscopy (NMR). Thus, the polymerisation rate parameter (2fk(p)/(k(t))(1/2)), along with the polymer stereoregularity, were obtained in terms of the molar fractions of meso and racemo diads and of syndiotactic, isotactic and heterotactic triads. The interaction of the polymers with cations was studied using polymer networks as solid phases in the solid-liquid extraction of lanthanide cations from both organic and aqueous media. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.reactfunctpolym.2011.06.004
• 作为产物：
  描述：

  原儿茶酸 在 硫酸 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4'-ethoxycarbonyl-benzo-18-crown-6
  参考文献：
  名称：

  Synthesis and radical polymerisation of methacrylic monomers with crown ethers or their dipodal counterparts in the pendant structure

  摘要：

  The synthesis and radical polymerisation of methacrylic monomers with benzo-12-crown-4, benzo-15-crown-5, benzo-18-crown-6, and their dipodal counterparts in the ester residue is described. The radical polymerisation of the monomers in solution was carried out at different temperatures, and the polymerisation kinetics curves were obtained by direct measurement of the instantaneous monomer concentrations by nuclear magnetic resonance spectroscopy (NMR). Thus, the polymerisation rate parameter (2fk(p)/(k(t))(1/2)), along with the polymer stereoregularity, were obtained in terms of the molar fractions of meso and racemo diads and of syndiotactic, isotactic and heterotactic triads. The interaction of the polymers with cations was studied using polymer networks as solid phases in the solid-liquid extraction of lanthanide cations from both organic and aqueous media. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.reactfunctpolym.2011.06.004

文献信息

• REINHOUDT D. N.; JONG F. DE; TOMASSEN H. P. M., TETRAHEDRON LETT., 1979, NO 22, 2067-2070
  作者：REINHOUDT D. N.、 JONG F. DE、 TOMASSEN H. P. M.

  DOI：——

  日期：——
• INOKUMA, SEIICHI;NEGISHI, TOSHIHARU;KAMEYAMA, EIICHI;KUWAMURA, TSUNEHIKO, J. CHEM. SOC. JAP., CHEM. AND IND. CHEM., 1982, N 3, 479-484
  作者：INOKUMA, SEIICHI、NEGISHI, TOSHIHARU、KAMEYAMA, EIICHI、KUWAMURA, TSUNEHIKO

  DOI：——

  日期：——