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 | 346697-02-7

• 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-hexa-tert-butyl-43,44,45,46,47,48-hexahydroxy-2,3,16,17,30,31-hexahomo-3,17,31-trioxacalix[6]arene
• 英文别名: p-tert-butylhexahomotrioxacalix[6]arene；5,13,19,27,33,41-Hexatert-butyl-9,23,37-trioxaheptacyclo[37.3.1.13,7.111,15.117,21.125,29.131,35]octatetraconta-1(43),3(48),4,6,11,13,15(47),17(46),18,20,25,27,29(45),31(44),32,34,39,41-octadecaene-43,44,45,46,47,48-hexol
• CAS: 346697-02-7
• 化学式: C₆₉H₉₀O₉
• 分子量: 1063.47
• InChiKey: HFPWOOSEPXQDLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.1
• 重原子数：
  78
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  149
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  吡啶 、 氯化铀 、 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 以 吡啶 为溶剂， 以82%的产率得到[UCl4(bis[5-tert-butyl-2-oxido-3-(1-pyridiniomethyl)-phenyl]methane]*2(pyridine)
  参考文献：
  名称：

  铀草酰芳烃裂解产生的铀（IV）与无环多酚盐的配合物

  摘要：

  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

  DOI：

  10.1039/b302809g
• 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

• Uranyl ions as supramolecular linkers in a bis(hexahomotrioxacalix[6]arene) hexa-uranate complex
  作者：Pierre Thuéry、Martine Nierlich、Jacques Vicens、Bernardo Masci

  DOI：10.1039/b109451n

  日期：2001.12.3

  Large calixarenes and homooxacalixarenes provide a unique means of complexing discrete poly-uranate species by phenoxide bonding. In the present case, owing to the particular nature of UO22+, which presents both equatorial coordination and axial hydrogen bonding abilities, two homooxacalixarene trinuclear complexes assemble in a self-recognition process to give a hexa-uranate cluster surrounded by

  大 杯芳烃高草酰氧杂芳烃和高草酰氧杂芳烃提供了一种独特的通过酚盐键合络合离散的聚尿酸盐物质的方法。在目前的情况下，由于UO 2 2+的特殊性质，它既表现出赤道配位又具有轴向氢键结合能力，所以两个高氧杂lix香烯三核配合物在自识别过程中组装，得到被两个发散的包围的六尿酸盐簇。大环。
• Hetero(tri- and tetra-)nuclear complexes of uranyl and alkali metal (Li+, K+) ions with p-tert-butylhexahomotrioxacalix[6]arene
  作者：Pierre Thuéry、Bernardo Masci

  DOI：10.1016/j.poly.2003.11.002

  日期：2004.2

  In the presence of lithium or potassium hydroxides, p-tert-butylhexahomotrioxacalix[6]arene (LH6) gives uranyl complexes different from those obtained with amine bases. The dianionic trinuclear complex [(UO2)(2)Li(OH)L(py)] is a monomeric species containing two tri-phenoxide-coordinated and hydroxo-bridged uranyl ions and a lithium ion bound to two phenoxide and one ether groups and a pyridine molecule. In the neutral [UO2K(LH3)(H2O)(2)](2) complex, each macrocycle contains a tri-phenoxide-coordinated uranyl ion. The potassium ion is bound to two phenolic and one ether groups, to one of the uranyl oxo groups, to two bridging water molecules and to a phenoxide atom of a neighboring molecule. The latter bonds give rise to a centrosymmetrical, tetranuclear dimer. (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.
• 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