2-[2-[[5,11,17,23-Tetratert-butyl-27-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-26,28-dipropoxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]ethyl]isoindole-1,3-dione | 931407-17-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-[2-[[5,11,17,23-Tetratert-butyl-27-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-26,28-dipropoxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]ethyl]isoindole-1,3-dione
• 英文别名: 2-[2-[[5,11,17,23-tetratert-butyl-27-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-26,28-dipropoxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]ethyl]isoindole-1,3-dione
• CAS: 931407-17-9
• 化学式: C₆₆H₇₄N₂O₈S₄
• 分子量: 1151.59
• InChiKey: NTYLOQUONZUDKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18
• 重原子数：
  80
• 可旋转键数：
  18
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  213
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  2-[2-[[5,11,17,23-Tetratert-butyl-27-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-26,28-dipropoxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]ethyl]isoindole-1,3-dione 在 一水合肼 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 为溶剂， 反应 72.0h， 生成 1-pyridin-2-yl-N-[2-[[5,11,17,23-tetratert-butyl-26,28-dipropoxy-27-[2-(pyridin-2-ylmethylideneamino)ethoxy]-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]ethyl]methanimine
  参考文献：
  名称：

  Synthesis and binding studies of novel thiacalixpodands and bisthiacalixarenes having O,O″-dialkylated thiacalix[4]arene unit(s) of 1,3-alternate conformation

  摘要：

  A series of thiacalixpodands and bisthiacalixarenes with imine units have been prepared by condensation of O,O"-bis(2-aminoethyl)-O',O"'-dipropyl-p-tert-butylthiacalix[4]arene of 1,3-alternate conformation with different aromatic (di)aldehydes. The molecules derived from pyridine-2-carbaldehyde and -2,6-dicarbaldehyde quantitatively extract silver ion from aqueous into organic phase with complete selectivity over other metal ions (Na+, K+ and Cs+) under neutral conditions. The former compound forms a 1:2 (L:M) complex with silver ion as proved by NMR spectroscopy, Job's plot and X-ray crystallography. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.12.142
• 作为产物：
  描述：

  丙醇 、 5,11,17,23-tetra-tert-butyl-25,27-dihydroxy-26,28-(2-phthalimidoethoxy)thiacalix[4]arene 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 48.0h， 以90%的产率得到2-[2-[[5,11,17,23-Tetratert-butyl-27-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-26,28-dipropoxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]ethyl]isoindole-1,3-dione
  参考文献：
  名称：

  Synthesis and binding studies of novel thiacalixpodands and bisthiacalixarenes having O,O″-dialkylated thiacalix[4]arene unit(s) of 1,3-alternate conformation

  摘要：

  A series of thiacalixpodands and bisthiacalixarenes with imine units have been prepared by condensation of O,O"-bis(2-aminoethyl)-O',O"'-dipropyl-p-tert-butylthiacalix[4]arene of 1,3-alternate conformation with different aromatic (di)aldehydes. The molecules derived from pyridine-2-carbaldehyde and -2,6-dicarbaldehyde quantitatively extract silver ion from aqueous into organic phase with complete selectivity over other metal ions (Na+, K+ and Cs+) under neutral conditions. The former compound forms a 1:2 (L:M) complex with silver ion as proved by NMR spectroscopy, Job's plot and X-ray crystallography. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.12.142

文献信息

• Synthesis and binding studies of novel thiacalixpodands and bisthiacalixarenes having O,O″-dialkylated thiacalix[4]arene unit(s) of 1,3-alternate conformation
  作者：Vandana Bhalla、J. Nagendra Babu、Manoj Kumar、Tetsutaro Hattori、Sotaro Miyano

  DOI：10.1016/j.tetlet.2006.12.142

  日期：2007.2

  A series of thiacalixpodands and bisthiacalixarenes with imine units have been prepared by condensation of O,O"-bis(2-aminoethyl)-O',O"'-dipropyl-p-tert-butylthiacalix[4]arene of 1,3-alternate conformation with different aromatic (di)aldehydes. The molecules derived from pyridine-2-carbaldehyde and -2,6-dicarbaldehyde quantitatively extract silver ion from aqueous into organic phase with complete selectivity over other metal ions (Na+, K+ and Cs+) under neutral conditions. The former compound forms a 1:2 (L:M) complex with silver ion as proved by NMR spectroscopy, Job's plot and X-ray crystallography. (c) 2007 Elsevier Ltd. All rights reserved.