1,3-Xylyl-21-crown-6 ether | 57624-51-8

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 1,3-Xylyl-21-crown-6 ether
• 英文别名: 1,3-xylyleno-21-crown-6(n=2)；3,6,9,12,15.18-hexaoxabicyclo<18.3.1>tetracosa-1(24),20,22-triene；m-Xylyl-<21>-Krone-6；3,6,9,12,15,18-Hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-triene
• CAS: 57624-51-8
• 化学式: C₁₈H₂₈O₆
• 分子量: 340.417
• InChiKey: PRNROGLIIKQHNI-UHFFFAOYSA-N

物化性质

• 沸点：
  506.9±45.0 °C(Predicted)
• 密度：
  1.028±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  重氮甲烷 、 1,3-Xylyl-21-crown-6 ether 在 copper(I) bromide 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 3,6,9,12,15,18-hexaoxabicyclo<18.4.1>pentacosa-1(25),20,23-triene 、 3,6,9,12,15,18-hexaoxabicyclo<18.4.1>pentacosa-1(25),20,22-triene 、 3,6,9,12,15,18-hexaoxabicyclo<18.3.2>pentacosa-1(24),20,22-triene
  参考文献：
  名称：

  Mills, Owen S.; Mooney, Nichola J.; Robinson, Peter M., Journal of the Chemical Society. Perkin transactions II, 1995, # 4, p. 697 - 706

  摘要：

  DOI：
• 作为产物：
  描述：

  羟丙基淀粉磷酸酯 、 间二溴苄 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 以58%的产率得到1,3-Xylyl-21-crown-6 ether
  参考文献：
  名称：

  Comparative studies on 1,3-xylyl and 2-bromo-1,3-xylyl crown ethers as ion-selective electrodes

  摘要：

  1,3-Xylyl and 2-bromo-1,3-xylyl crown ethers have been tested as ion-selective electrodes in poly(vinyl chloride) (PVC) membranes. The pattern of selectivity appears to be essentially independent of ring size and probably reflects the ease with which substitution of water molecules from the inner hydration sphere of the ion can be effected. The ionophores have proved to be good K+ neutral carriers showing near-Nernstian responses to this ion, in the range 10(-1)-10(-4) M. The fixed-interference method was used to determine relative selectivity coefficients for all the electrodes. The highest selectivity for potassium relative to sodium, lithium, calcium, and magnesium was obtained with 1,3-xylyl-15-crown-5 ether using NPOE plasticizer. The compounds tested exhibited a fast Nernstian response to changes in K+ concentration, which was stable to within < 100-mu-V/h.

  DOI：

  10.1021/ac00020a016

文献信息

• REINHOUDT D. N.; GRAY R. T., TETRAHEDRON LETT. <TELE-AY>, 1975, NO 25, 2105-2108
  作者：REINHOUDT D. N.、 GRAY R. T.

  DOI：——

  日期：——
• Comparative studies on 1,3-xylyl and 2-bromo-1,3-xylyl crown ethers as ion-selective electrodes
  作者：Sudersan M. Tuladhar、Gwyn. Williams、Claudius. D'Silva

  DOI：10.1021/ac00020a016

  日期：1991.10.15

  1,3-Xylyl and 2-bromo-1,3-xylyl crown ethers have been tested as ion-selective electrodes in poly(vinyl chloride) (PVC) membranes. The pattern of selectivity appears to be essentially independent of ring size and probably reflects the ease with which substitution of water molecules from the inner hydration sphere of the ion can be effected. The ionophores have proved to be good K+ neutral carriers showing near-Nernstian responses to this ion, in the range 10(-1)-10(-4) M. The fixed-interference method was used to determine relative selectivity coefficients for all the electrodes. The highest selectivity for potassium relative to sodium, lithium, calcium, and magnesium was obtained with 1,3-xylyl-15-crown-5 ether using NPOE plasticizer. The compounds tested exhibited a fast Nernstian response to changes in K+ concentration, which was stable to within < 100-mu-V/h.
• Mills, Owen S.; Mooney, Nichola J.; Robinson, Peter M., Journal of the Chemical Society. Perkin transactions II, 1995, # 4, p. 697 - 706
  作者：Mills, Owen S.、Mooney, Nichola J.、Robinson, Peter M.、Watt, C. Ian F.、Box, Brian G.

  DOI：——

  日期：——