p-(methoxycarbonylmethyl-1-adamantyl)calix[6]arene hexamethyl ether | 647832-77-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: p-(methoxycarbonylmethyl-1-adamantyl)calix[6]arene hexamethyl ether
• 英文别名: methyl 2-[3-[37,38,39,40,41,42-hexamethoxy-11,17,23,29,35-pentakis[3-(2-methoxy-2-oxoethyl)-1-adamantyl]-5-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]-1-adamantyl]acetate
• CAS: 647832-77-7
• 化学式: C₁₂₆H₁₅₆O₁₈
• 分子量: 1958.61
• InChiKey: FDCXZCAHEAXIRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  24.0
• 重原子数：
  144.0
• 可旋转键数：
  24.0
• 环数：
  31.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  213.18
• 氢给体数：
  0.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  p-(methoxycarbonylmethyl-1-adamantyl)calix[6]arene hexamethyl ether 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 7.0h， 以100%的产率得到2-[3-[11,17,23,29,35-pentakis[3-(carboxymethyl)-1-adamantyl]-37,38,39,40,41,42-hexamethoxy-5-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]-1-adamantyl]acetic acid
  参考文献：
  名称：

  摘要：

  Procedures have been developed for the preparation of completely and partially adamantylated calix[n]arenes (n = 5, 6) by reaction of 3-R-substituted 1-hydroxyadamantanes (R = H, 4-MeC(6)H(4), 4-MeSO(2)C(6)H(4),4-HO-3-HOCOC(6)H(3), HOCOCH(2)) with p-H-calix[n]arenes (n = 5, 6) and 5,11,23,29-tetra-tert-butylcalix[6]arene in trifluoroacetic acid. Lower- and upper-rim modification of the prepared compounds has been studied. According to the (1)H NMR data, adamantylcalix[6]arenes possessing carboxymethyl groups in the adamantane moieties are characterized by reduced conformational mobility.

  DOI：

  10.1023/a:1025541731033
• 作为产物：
  描述：

  硫酸二甲酯 、 5,11,17,23,29,35-hexa-p-(3-carboxymethyl-1-adamantyl)calix[6]arene 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 7.25h， 以92%的产率得到p-(methoxycarbonylmethyl-1-adamantyl)calix[6]arene hexamethyl ether
  参考文献：
  名称：

  摘要：

  Procedures have been developed for the preparation of completely and partially adamantylated calix[n]arenes (n = 5, 6) by reaction of 3-R-substituted 1-hydroxyadamantanes (R = H, 4-MeC(6)H(4), 4-MeSO(2)C(6)H(4),4-HO-3-HOCOC(6)H(3), HOCOCH(2)) with p-H-calix[n]arenes (n = 5, 6) and 5,11,23,29-tetra-tert-butylcalix[6]arene in trifluoroacetic acid. Lower- and upper-rim modification of the prepared compounds has been studied. According to the (1)H NMR data, adamantylcalix[6]arenes possessing carboxymethyl groups in the adamantane moieties are characterized by reduced conformational mobility.

  DOI：

  10.1023/a:1025541731033

文献信息

• Adamantylcalixarenes with CMPO groups at the wide rim: synthesis and extraction of lanthanides and actinides
  作者：Alina Motornaya、Ivan Vatsouro、Elvira Shokova、Véronique Hubscher-Bruder、Mikhail Alyapyshev、Vasily Babain、Maria Karavan、Françoise Arnaud-Neu、Volker Böhmer、Vladimir Kovalev

  DOI：10.1016/j.tet.2007.03.088

  日期：2007.5

  are connected to adamantane nuclei through methylene groups gave the best extraction results for lanthanides and actinides. For all the ligands the extraction efficiency does not decrease at higher nitric acid concentration. Although the discrimination between trivalent actinides and lanthanides is not good, all ligands are highly selective for thorium(IV) with the best separation factor achieved in

  从开始p -adamantylcalix [4] -和[6]与羧酸或酯基团的金刚烷核，carbamoylmethylphosphine氧化物（CMPO）含一种新型的配体官能化芳烃合成。研究了它们作为一系列f块元素的萃取剂，这些元素包括放射性152 Eu（III），241 Am（III），233 U（VI）和239 Pu（IV）。四聚体配体4b其中CMPO残基通过亚甲基与金刚烷核相连，对镧系元素和act系元素的提取效果最佳。对于所有配体，在较高的硝酸浓度下萃取效率均不会降低。尽管三价act系元素和镧系元素之间的区别不好，但所有配体对th（IV）都具有高度选择性，在六聚体配体5（D Th / D Ln > 24）的情况下，可获得最佳的分离系数。