7,13,21,27,35,41,49,55-octa-tert-butyl-57,58,59,60,61,62,63,64-octahydroxy-2,3,16,17,30,31,44,45-octahomo-3,17,31,45-tetraoxacalix[8]arene | 345351-93-1

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 7,13,21,27,35,41,49,55-octa-tert-butyl-57,58,59,60,61,62,63,64-octahydroxy-2,3,16,17,30,31,44,45-octahomo-3,17,31,45-tetraoxacalix[8]arene
• 英文别名: p-tert-butyloctahomotetraoxacalix[8]arene；5,13,19,27,33,41,47,55-Octatert-butyl-9,23,37,51-tetraoxanonacyclo[51.3.1.13,7.111,15.117,21.125,29.131,35.139,43.145,49]tetrahexaconta-1(57),3(64),4,6,11,13,15(63),17(62),18,20,25,27,29(61),31(60),32,34,39,41,43(59),45(58),46,48,53,55-tetracosaene-57,58,59,60,61,62,63,64-octol
• CAS: 345351-93-1
• 化学式: C₉₂H₁₂₀O₁₂
• 分子量: 1417.96
• InChiKey: ASMRWGVNQWMKLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.8
• 重原子数：
  104
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  199
• 氢给体数：
  8
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  uranyl nirate hexahydrate 、 三乙胺 、 7,13,21,27,35,41,49,55-octa-tert-butyl-57,58,59,60,61,62,63,64-octahydroxy-2,3,16,17,30,31,44,45-octahomo-3,17,31,45-tetraoxacalix[8]arene 以 三乙胺 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  中型和大型高草酸芳烃芳烃离子对铀酰离子的络合作用：从单-至多-尿酸盐络合物

  摘要：

  三种高氧杂芳基[ n ]芳烃（n  = 4、6或8）的二氧杂鎓（VI）配合物的晶体结构已显示出可能复杂化具有可变核数的金属部分，具体取决于它们所含的酚基和醚键的数量。对-叔丁基四homodioxacalix [6]芳烃通过四苯甲酸酯配位包含一个单一的铀酰单元，通常在四溴环十二烷中观察到。杯芳烃配合物，而对甲基八ahomotetraoxacalix [4]芳烃结合双桥双核物种协调到酚盐和双酚。醚氧供体，而大的对叔丁基八氢四氧杂lix [8]芳烃结合了独特的四铀酸盐簇，该簇含有铀原子之间的双氧桥和单氧桥，并且仅涉及苯酚与氧的配位。大循环。对单去质子化的高氧磷酰胺[6]芳烃的三乙铵络合物进行额外的晶体结构测定，可以对配位对三乙铵的影响做出一些评论。大循环构象。铀酰配合物核仁与核素之间的关系。配体 在里面 杯芳烃/ homooxacalixarene家族和 配体 讨论。

  DOI：

  10.1039/b009364p
• 作为产物：
  描述：

  5,5'-Di-tert-butyl-2,2'-dihydroxy-3,3'-dihydroxymethyldibenzyl ether 以 xylene 为溶剂， 反应 3.33h， 以10%的产率得到7,13,21,27,35,41-hexa-tert-butyl-43,44,45,46,47,48-hexahydroxy-2,3,16,17,30,31-hexahomo-3,17,31-trioxacalix[6]arene
  参考文献：
  名称：

  Large parent homooxacalixarenes: formation and transformation

  摘要：

  The mixtures obtained on thermally dehydrating concentrated solutions of a bishydroxymethylated diphenol could be reliably analysed through the signals of the phenol protons in the H NMR spectra. This allowed two oxygenated homologues of calix[6]arene and one homologue of calix[8]arene to be prepared in favourable conditions along with two homooxacalix[4]arenes. The obtained compounds are regular products of a cyclooligomerization reaction, namely dimer, trimer, and tetramer, and modified structures with one CH2OCH2 bridge less than expected. The latter compounds and lower regular cyclooligomers appear to be formed when cyclooligomers are thermally decomposed. The thermal lability of the compounds increases along the series dimer, trimer, tetramer. The strict relationship between parent homooxacalixarenes and typical calixarenes becomes increasingly evident in the light of the obtained results. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00135-1

文献信息

• Complexes of uranium(<scp>iv</scp>) with acyclic polyphenoxides resulting from cleavage of homooxacalixarenes
  作者：Lionel Salmon、Pierre Thuéry、Michel Ephritikhine、Bernardo Masci

  DOI：10.1039/b302809g

  日期：——

  polyphenoxide complexes of U(IV). Coordination of L1 to UCl4 yields the neutral complex [UCl4(L1)] and, on further heating, the cationic [UCl2(L1)2]2+ species, whereas (L2)− gives only the neutral compound [UCl3(L2)]. In these three complexes, the metal atom is in slightly distorted octahedral environments, with bonding to all phenoxide groups. These are the first instances of U(IV) complexes with polyphenoxide

  的反应 氯化铀4 与草甘膦 吡啶 导致醚桥在亲核攻击下被裂解。 吡啶，可能是由U（IV）离子辅助的。两性离子苯酚双[5-叔丁基-2-氧化-3-（1-吡啶碘甲基）-苯基]甲烷大号1从形成p -叔-butyltetrahomodioxacalix [4]芳烃，p -叔-butylhexahomotrioxacalix [6]芳烃或p -叔-butyloctahomotetraoxacalix [8]芳烃和两性离子物种三苯4-叔丁基-2,6-双[由对-叔丁基四高二恶二acalix [6]芳烃形成的5-叔丁基-2-氧化-3-（1-吡啶碘甲基）-苄基]酚盐（L 2）-形成U（IV）的多酚盐配合物。L 1与氯化铀4产生中性络合物[UCl 4（L 1）]，并在进一步加热下产生阳离子[UCl 2（L 1）2 ] 2+物种，而（L 2）-仅产生中性化合物[UCl 3（L 2））]。在这三个络合物中，金属原子
• Versatility of large homooxacalixarenes as ligands in polymetallic complexes: the case of UO22+ and p-tert-butyloctahomotetraoxacalix[8]arene
  作者：Pierre Thuéry、Bernardo Masci

  DOI：10.1016/j.poly.2003.09.002

  日期：2003.12

  The coordination of uranyl ions in their complexes with p-tert-butyloctahomotetraoxacalix[8]arene (LH8) is shown to be strongly dependent on the synthesis conditions. The tetranuclear complex [(UO2)(4)O-4(LH8)] (.) 10CH(3)OH (1) differs from the previously reported, octa-phenoxide one by the coordination of all the ether groups and the subsequent rotation of the tetra-uranate cluster with respect to the macrocycle. In the presence of pyridine, the complex [(UO2)(2)(py)(4)(LH4)] (.) py (2) is formed, in which the partially deprotonated ligand is bound to two independent uranyl species by four phenoxide and two ether groups only, thus evidencing the decrease in nuclearity due to a coordinating base (pyridine) preventing cluster formation through bridging ions. (C) 2003 Elsevier Ltd. All rights reserved.
• Large parent homooxacalixarenes: formation and transformation
  作者：Bernardo Masci

  DOI：10.1016/s0040-4020(01)00135-1

  日期：2001.4

  The mixtures obtained on thermally dehydrating concentrated solutions of a bishydroxymethylated diphenol could be reliably analysed through the signals of the phenol protons in the H NMR spectra. This allowed two oxygenated homologues of calix[6]arene and one homologue of calix[8]arene to be prepared in favourable conditions along with two homooxacalix[4]arenes. The obtained compounds are regular products of a cyclooligomerization reaction, namely dimer, trimer, and tetramer, and modified structures with one CH2OCH2 bridge less than expected. The latter compounds and lower regular cyclooligomers appear to be formed when cyclooligomers are thermally decomposed. The thermal lability of the compounds increases along the series dimer, trimer, tetramer. The strict relationship between parent homooxacalixarenes and typical calixarenes becomes increasingly evident in the light of the obtained results. (C) 2001 Elsevier Science Ltd. All rights reserved.
• Uranyl ion complexation by medium and large homooxacalixarenes: from mono- to poly-uranate complexes
  作者：Pierre Thuéry、Martine Nierlich、Jacques Vicens、Bernardo Masci

  DOI：10.1039/b009364p

  日期：——

  Crystal structures of dioxouranium(VI) complexes of three homooxacalix[n]arenes (n = 4, 6 or 8) have shown the possibility to complex metal moieties of variable nuclearity, depending upon the number of phenolic groups and ether links they contain. p-tert-Butyltetrahomodioxacalix[6]arene embraces a single uranyl unit through tetraphenoxide coordination as commonly observed in calixarene complexes, whereas

  三种高氧杂芳基[ n ]芳烃（n  = 4、6或8）的二氧杂鎓（VI）配合物的晶体结构已显示出可能复杂化具有可变核数的金属部分，具体取决于它们所含的酚基和醚键的数量。对-叔丁基四homodioxacalix [6]芳烃通过四苯甲酸酯配位包含一个单一的铀酰单元，通常在四溴环十二烷中观察到。杯芳烃配合物，而对甲基八ahomotetraoxacalix [4]芳烃结合双桥双核物种协调到酚盐和双酚。醚氧供体，而大的对叔丁基八氢四氧杂lix [8]芳烃结合了独特的四铀酸盐簇，该簇含有铀原子之间的双氧桥和单氧桥，并且仅涉及苯酚与氧的配位。大循环。对单去质子化的高氧磷酰胺[6]芳烃的三乙铵络合物进行额外的晶体结构测定，可以对配位对三乙铵的影响做出一些评论。大循环构象。铀酰配合物核仁与核素之间的关系。配体 在里面 杯芳烃/ homooxacalixarene家族和 配体 讨论。