25,27-{2,2'-[2,2'-((2,5,8-triaza)nonyl)diphenoxyl]diethyl}-p-tert-butylcalix[4]arene | 189892-51-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 25,27-{2,2'-[2,2'-((2,5,8-triaza)nonyl)diphenoxyl]diethyl}-p-tert-butylcalix[4]arene
• 英文别名: 35,41,47,52-Tetratert-butyl-3,6,28,31-tetraoxa-14,17,20-triazaoctacyclo[31.15.7.139,43.150,54.02,45.07,12.022,27.032,37]heptapentaconta-1,7,9,11,22,24,26,32,34,36,39(57),40,42,45,47,50,52,54(56)-octadecaene-56,57-diol；35,41,47,52-tetratert-butyl-3,6,28,31-tetraoxa-14,17,20-triazaoctacyclo[31.15.7.139,43.150,54.02,45.07,12.022,27.032,37]heptapentaconta-1,7,9,11,22,24,26,32,34,36,39(57),40,42,45,47,50,52,54(56)-octadecaene-56,57-diol
• CAS: 189892-51-1
• 化学式: C₆₆H₈₅N₃O₆
• 分子量: 1016.42
• InChiKey: KJBNJAKJTHDCGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15
• 重原子数：
  75
• 可旋转键数：
  4
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  114
• 氢给体数：
  5
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  25,27-{2,2'-[2,2'-((2,5,8-triaza)nonyl)diphenoxyl]diethyl}-p-tert-butylcalix[4]arene 、 碘甲烷 在 potassium carbonate 、 硫酸二甲酯 作用下， 以 乙腈 为溶剂， 反应 26.0h， 以54%的产率得到
  参考文献：
  名称：

  Synthesis and characterisation of polyaza crown ether derivatives of calix[4]arene and their role as anion receptors

  摘要：

  Novel compounds of polyaza crown ether derivatives of calix[4]arene have been synthesised. Both the ammoniun and methyl ammonium derivatives, 25,27-{2,2'-[2,2'-((2,5,8-triammonium)nonyl)diphenoxyl]diethyl}-p-tert-butylcalix[4]arene trichloride, Ib and 25,27-(2,2'-[2,2'-((2,5,8-dimethyl ammonium)nonyl)diphenoxy]diethyl}-p-tert-butylcalix[4] arene, Id, were studied complexation with a series of anions by H-1 NMR spectroscopy. The ammonium derivatives, Ib, was found to form complexes Cl-, with Cl-, NO3-, AsO2- and CO32- ions in which the selectivity for anions varies as CO32- > NO3- > AsO2- > Cl-. The methylammoniun derivative, Id, however, does not show any sign of anion complexation. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00136-1
• 作为产物：
  描述：

  25,27-Bis<2-<(1-formyl-2-phenyl)oxy>ethyl>-p-tert-butylcalix<4>arene 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 、 乙腈 为溶剂， 反应 11.0h， 生成 25,27-{2,2'-[2,2'-((2,5,8-triaza)nonyl)diphenoxyl]diethyl}-p-tert-butylcalix[4]arene
  参考文献：
  名称：

  Synthesis and characterisation of polyaza crown ether derivatives of calix[4]arene and their role as anion receptors

  摘要：

  Novel compounds of polyaza crown ether derivatives of calix[4]arene have been synthesised. Both the ammoniun and methyl ammonium derivatives, 25,27-{2,2'-[2,2'-((2,5,8-triammonium)nonyl)diphenoxyl]diethyl}-p-tert-butylcalix[4]arene trichloride, Ib and 25,27-(2,2'-[2,2'-((2,5,8-dimethyl ammonium)nonyl)diphenoxy]diethyl}-p-tert-butylcalix[4] arene, Id, were studied complexation with a series of anions by H-1 NMR spectroscopy. The ammonium derivatives, Ib, was found to form complexes Cl-, with Cl-, NO3-, AsO2- and CO32- ions in which the selectivity for anions varies as CO32- > NO3- > AsO2- > Cl-. The methylammoniun derivative, Id, however, does not show any sign of anion complexation. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00136-1

文献信息

• Synthesis and characterisation of polyaza crown ether derivatives of calix[4]arene and their role as anion receptors
  作者：Teerapat Rojsajjakul、Sudarath Veravong、Gamolwan Tumcharern、Ratana Seangprasertkij-Magee、Thawatchai Tuntulani

  DOI：10.1016/s0040-4020(97)00136-1

  日期：1997.3

  Novel compounds of polyaza crown ether derivatives of calix[4]arene have been synthesised. Both the ammoniun and methyl ammonium derivatives, 25,27-2,2'-[2,2'-((2,5,8-triammonium)nonyl)diphenoxyl]diethyl}-p-tert-butylcalix[4]arene trichloride, Ib and 25,27-(2,2'-[2,2'-((2,5,8-dimethyl ammonium)nonyl)diphenoxy]diethyl}-p-tert-butylcalix[4] arene, Id, were studied complexation with a series of anions by H-1 NMR spectroscopy. The ammonium derivatives, Ib, was found to form complexes Cl-, with Cl-, NO3-, AsO2- and CO32- ions in which the selectivity for anions varies as CO32- > NO3- > AsO2- > Cl-. The methylammoniun derivative, Id, however, does not show any sign of anion complexation. (C) 1997 Elsevier Science Ltd.