Methyl 2-[[5,11,17,23,29,35-hexatert-butyl-50,51,52-tris(2-methoxy-2-oxoethoxy)-38,41,44,47-tetraoxaoctacyclo[17.17.12.13,7.19,13.121,25.127,31.015,48.033,37]dopentaconta-1(37),3(52),4,6,9,11,13(51),15(48),16,18,21(50),22,24,27,29,31(49),33,35-octadecaen-49-yl]oxy]acetate | 292084-92-5

• 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: Methyl 2-[[5,11,17,23,29,35-hexatert-butyl-50,51,52-tris(2-methoxy-2-oxoethoxy)-38,41,44,47-tetraoxaoctacyclo[17.17.12.13,7.19,13.121,25.127,31.015,48.033,37]dopentaconta-1(37),3(52),4,6,9,11,13(51),15(48),16,18,21(50),22,24,27,29,31(49),33,35-octadecaen-49-yl]oxy]acetate
• CAS: 292084-92-5
• 化学式: C₈₄H₁₁₀O₁₆
• 分子量: 1375.79
• InChiKey: KPSDBAWLOFBGSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.5
• 重原子数：
  100
• 可旋转键数：
  22
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  179
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  Methyl 2-[[5,11,17,23,29,35-hexatert-butyl-50,51,52-tris(2-methoxy-2-oxoethoxy)-38,41,44,47-tetraoxaoctacyclo[17.17.12.13,7.19,13.121,25.127,31.015,48.033,37]dopentaconta-1(37),3(52),4,6,9,11,13(51),15(48),16,18,21(50),22,24,27,29,31(49),33,35-octadecaen-49-yl]oxy]acetate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以62%的产率得到
  参考文献：
  名称：

  Selective Binding of Aromatic Amines by Self-Assembled Monolayers of a Calix[6]crown-4 Derivative

  摘要：

  A p-tert-butylcalix[6]crown-4 derivative immobilized on gold surfaces via self-assembly, endowed with a rigid cavity, can serve as a remarkably efficient sensor for aniline compared to alkylamines. The stability of the inclusion complex is attributed to the size fit and to the multipoint recognition motifs between the host monolayer and the guest aniline.

  DOI：

  10.1021/ol049957n
• 作为产物：
  描述：

  溴乙酸甲酯 、 p-tert-butyl-calix[6]-1,4-crown-4 在 sodium hydride 作用下， 以 1,4-二氧六环 为溶剂， 以56%的产率得到Methyl 2-[[5,11,17,23,29,35-hexatert-butyl-50,51,52-tris(2-methoxy-2-oxoethoxy)-38,41,44,47-tetraoxaoctacyclo[17.17.12.13,7.19,13.121,25.127,31.015,48.033,37]dopentaconta-1(37),3(52),4,6,9,11,13(51),15(48),16,18,21(50),22,24,27,29,31(49),33,35-octadecaen-49-yl]oxy]acetate
  参考文献：
  名称：

  Selective Binding of Aromatic Amines by Self-Assembled Monolayers of a Calix[6]crown-4 Derivative

  摘要：

  A p-tert-butylcalix[6]crown-4 derivative immobilized on gold surfaces via self-assembly, endowed with a rigid cavity, can serve as a remarkably efficient sensor for aniline compared to alkylamines. The stability of the inclusion complex is attributed to the size fit and to the multipoint recognition motifs between the host monolayer and the guest aniline.

  DOI：

  10.1021/ol049957n

文献信息

• Molecular design and synthesis of a calix[6]crown-based lithium-selective ionophore
  作者：Yuanyin Chen、Fafu Yang、Shuling Gong

  DOI：10.1016/s0040-4039(00)00729-2

  日期：2000.6

  Several 1,4-bridged calix[6]arene tetraesters were prepared from 1,4-p-tert-calix[6]crown-4's by etherifying with ethyl bromoacetate. It was found that the 1,4-p-tert-calix[6]crown-4 tetraethylester (3a) and the 1,4-p-tert-calix[6]benzocrown-4 tetramethylester (4b) exhibit very high selectivity toward lithium and sodium ions, respectively. The ion selectivity is very sensitive to the structure of polyoxyethylene spacer and the R in the ester moiety. (C) 2000 Elsevier Science Ltd. All rights reserved.