5,11,17,23-tetra(tert-butyl)-25,26,27,28-tetrakis(aminocarbonylmethoxy)calix[4]arene | 1137736-99-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5,11,17,23-tetra(tert-butyl)-25,26,27,28-tetrakis(aminocarbonylmethoxy)calix[4]arene
• 英文别名: tert-butyl-25,26,27,28-tetrakis(aminocarbonylmethoxy)calix[4]arene；2-[[26,27,28-Tris(2-amino-2-oxoethoxy)-5,11,17,23-tetratert-butyl-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]acetamide；2-[[26,27,28-tris(2-amino-2-oxoethoxy)-5,11,17,23-tetratert-butyl-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]acetamide
• CAS: 1137736-99-2；1137737-00-8；1137737-01-9；161264-76-2
• 化学式: C₅₂H₆₈N₄O₈
• 分子量: 877.134
• InChiKey: IXNBSOSUFATMAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10
• 重原子数：
  64
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  209
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-叔丁基杯[4]芳烃-四乙酸乙酯 在 氨 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 12.0h， 以10%的产率得到5,11,17,23-tetra(tert-butyl)-25,26,27,28-tetrakis(aminocarbonylmethoxy)calix[4]arene
  参考文献：
  名称：

  Studies of complexation properties of receptors based on functionalized calix[4]arenes with various complexation centers

  摘要：

  采用异相萃取研究了杯[4]芳烃平台上配体与过渡金属盐（Ni2+、Co2+、Fe2+、Mn2+、Cu2+）的分离和未分离络合中心的络合特性。下缘含有 N-烷基甲酰胺取代基的杯芳烃比下缘含有酯部分和上缘含有 N-烷基磺酰胺部分的杯芳烃对过渡金属硫酸盐的结合表现出更高的亲和力（萃取度 E = 30-60%）。对于含有未取代的酰胺片段的杯芳烃，观察到相反的模式。对于Fe2+、Ni2+、Mn2+硫酸盐，萃取率均超过50%。

  DOI：

  10.1007/s11172-014-0641-4

文献信息

• Calix[4]arenes with carboxamide and sulfonamide groups and their complexation with transition metal salts
  作者：A. E. Kulyashova、I. V. Geide、P. E. Prokhorova、Yu. Yu. Morzherin

  DOI：10.1134/s1070428014040216

  日期：2014.4

  Calix[4]arene derivatives functionalized by ester and carboxamide groups on the lower rim and sulfonamide groups on the upper rim were synthesized, and their complexing properties toward transition metal salts (Mn2+, Fe2+, Co2+, Ni2+, Cu2+) were studied by extraction in chloroform-water system. The presence of carboxamide and sulfonamide fragments in the ligand was shown to considerably enhance binding

  合成了由下边缘的酯和羧酰胺基和上边缘的磺酰胺基官能化的杯[4]芳烃衍生物，并且它们对过渡金属盐（Mn 2 +，Fe 2 +，Co 2 +，Ni 2+在氯仿-水系统中萃取，研究了Cu 2+）。配体中羧酰胺和磺酰胺片段的存在可显着增强过渡金属阳离子的结合。
• Studies of complexation properties of receptors based on functionalized calix[4]arenes with various complexation centers
  作者：I. V. Geide、A. E. Kulyashova、P. E. Prokhorova、Yu. Yu. Morzherin

  DOI：10.1007/s11172-014-0641-4

  日期：2014.7

  Heterophase extraction was used to study complexation properties of ligands on the calix[4]arene platform with separated and unseparated complexation centers with transition metal salts (Ni2+, Co2+, Fe2+, Mn2+, Cu2+). Calixarenes containing N-alkylcarboxamide substituents at the lower rim exhibit higher affinity to binding of transition metal sulfates (extraction degree E = 30–60%) than calixarenes containing ester moieties at the lower rim and N-alkylsulfonamide moieties at the upper rim. The opposite pattern was observed for calixarenes containing unsubstituted amide fragments. For Fe2+, Ni2+, and Mn2+ sulfates, the extraction degree exceeded 50%.

  采用异相萃取研究了杯[4]芳烃平台上配体与过渡金属盐（Ni2+、Co2+、Fe2+、Mn2+、Cu2+）的分离和未分离络合中心的络合特性。下缘含有 N-烷基甲酰胺取代基的杯芳烃比下缘含有酯部分和上缘含有 N-烷基磺酰胺部分的杯芳烃对过渡金属硫酸盐的结合表现出更高的亲和力（萃取度 E = 30-60%）。对于含有未取代的酰胺片段的杯芳烃，观察到相反的模式。对于Fe2+、Ni2+、Mn2+硫酸盐，萃取率均超过50%。