32,72-bis(3-(bis(3-aminopropyl)amino)propoxy)-15,35,55,75-tetra-tert-butyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,52-diol | 689295-57-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 32,72-bis(3-(bis(3-aminopropyl)amino)propoxy)-15,35,55,75-tetra-tert-butyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,52-diol
• CAS: 689295-57-6
• 化学式: C₆₂H₉₈N₆O₄
• 分子量: 991.498
• InChiKey: DBKJRWLWSKTTJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.5
• 重原子数：
  72.0
• 可旋转键数：
  22.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  169.48
• 氢给体数：
  6.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  p-nitrophenyl diphenylphosphorylacetate 、 32,72-bis(3-(bis(3-aminopropyl)amino)propoxy)-15,35,55,75-tetra-tert-butyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,52-diol 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 24.0h， 以83%的产率得到N-[3-[3-[[27-[3-[bis[3-[(2-diphenylphosphoryl-1-hydroxyethylidene)amino]propyl]amino]propoxy]-5,11,17,23-tetratert-butyl-26,28-dihydroxy-25-pentacyclo[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-dodecaenyl]oxy]propyl-[3-[(2-diphenylphosphoryl-1-hydroxyethylidene)amino]propyl]amino]propyl]-2-diphenylphosphorylethanimidic acid
  参考文献：
  名称：

  Dendritic octa-CMPO derivatives of calix[4]arenes

  摘要：

  Calix[4]arenes substituted at the narrow or wide rim by eight carbamoylmethyl-phosphine oxide (=CMPO) functions in a dendritic manner were synthesised and studied in extraction of Eu3+ and Am3+ from aqueous nitric acid into o-nitrophenylhexyl ether. H-1 NMR relaxivity titrations for a wide rim octa-CMPO reveal the clear formation of a solvent-free 1:2 ligand/metal complex, while the wide rim tetra-CMPO formed oligomeric complexes under similar conditions. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.01.057
• 作为产物：
  描述：

  25,27-bis(3-aminopropoxy)-5,11,17,23-tetra-tert-butyl-26,28-dihydroxycalix[4]arene 在 sodium tetrahydroborate 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 17.0h， 生成 32,72-bis(3-(bis(3-aminopropyl)amino)propoxy)-15,35,55,75-tetra-tert-butyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,52-diol
  参考文献：
  名称：

  Dendritic octa-CMPO derivatives of calix[4]arenes

  摘要：

  Calix[4]arenes substituted at the narrow or wide rim by eight carbamoylmethyl-phosphine oxide (=CMPO) functions in a dendritic manner were synthesised and studied in extraction of Eu3+ and Am3+ from aqueous nitric acid into o-nitrophenylhexyl ether. H-1 NMR relaxivity titrations for a wide rim octa-CMPO reveal the clear formation of a solvent-free 1:2 ligand/metal complex, while the wide rim tetra-CMPO formed oligomeric complexes under similar conditions. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.01.057