5,11,17,23,29,35-hexakis(1',1',3',3'-tetramethylbutyl)-37,38,39,40,41,42-hexahydroxycalix<6>arene | 135549-05-2

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 5,11,17,23,29,35-hexakis(1',1',3',3'-tetramethylbutyl)-37,38,39,40,41,42-hexahydroxycalix<6>arene
• 英文别名: 5,11,17,23,29,35-hexa(1,1,3,3-tetramethylbutyl)-37,38,39,40,41,42-hexakis(hydroxy)calix[6]arene；p-tert-octylcalix<8>arene；p-tert-octylcalix[6]arene；5,11,17,23,29,35-hexakis(1',1',3',3'-tetramethylbutyl)-37,38,39,40,41,42-hexahydroxycalix[6]arene；5,11,17,23,29,35-Hexakis(2,4,4-trimethylpentan-2-yl)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-octadecaene-37,38,39,40,41,42-hexol
• CAS: 135549-05-2
• 化学式: C₉₀H₁₃₂O₆
• 分子量: 1310.03
• InChiKey: XAWIIUBBNTVTMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  29.8
• 重原子数：
  96
• 可旋转键数：
  18
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  121
• 氢给体数：
  6
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5,11,17,23,29,35-hexakis(1',1',3',3'-tetramethylbutyl)-37,38,39,40,41,42-hexahydroxycalix<6>arene 以60%的产率得到
  参考文献：
  名称：

  GUTSCHE, C. D.;BAUER, L. J., J. AMER. CHEM. SOC., 1985, 107, N 21, 6059-6063

  摘要：

  DOI：
• 作为产物：
  描述：

  聚合甲醛 、 对特辛基苯酚 在 sodium hydroxide 作用下， 以 水 、 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 反应 6.0h， 生成 5,11,17,23,29,35-hexakis(1',1',3',3'-tetramethylbutyl)-37,38,39,40,41,42-hexahydroxycalix<6>arene 、 环[辛[(5-(1,1,3,3-四甲基丁基)-2-羟基-1,3-亚苯基)亚甲基]]
  参考文献：
  名称：

  METAL COMPOUNDS OF CALIXARENES, DETERGENT COMPOSITIONS CONTAINING THEM AND USE THEREOF IN LUBRICANT COMPOSITIONS

  摘要：

  本发明涉及一种不含硫且可在油中分散的杯芳烃金属化合物，可以部分盐化，或中性，或碱性或过基化，所述杯芳烃具有通式（I），其中：a) R1、R2、R3和R4独立地选自氢，或含碳和氢的基团，或除碳和氢外还含有杂原子的基团，前提是所述杂原子不是硫；b) 两个取代基R5和R6中的一个是氢，而另一个可以选自氢，或具有1到6个碳原子的直链或支链烷基，优选是甲基、乙基、1-丙基、2-丙基、正丁基、异丁基，更优选是甲基或乙基；c) n是杯芳烃环的单位数，范围在4到16之间，优选在5到12之间；所述杯芳烃的特征在于，在杯芳烃环的至少一个n个单位中，至少一个取代基R1、R2、R3和R4中含有至少一个羧基的酸性羧基，可用于与金属碱发生反应，但前提是所述羧基不含在源自水杨酸的杯芳烃环的单位中。

  公开号：

  US20180237375A1

文献信息

• Design of Calixarene‐Type Ligands for Second Sphere Complexation of Noble Metal Ions
  作者：Kamel Belhamel、T. K. Dzung Nguyen、Mohamed Benamor、Rainer Ludwig

  DOI：10.1002/ejic.200300219

  日期：2003.11

  Macrocyclic ligands were designed according to the principle of ion recognition, synthesized and tested in their capability to extract Au III . Different from other complexants which require ligand exchange prior to complexation, the reported ligands bind the complexes AuCl3 and AuCl4 − . With a sufficiently sized macrocyclic cavity, hydrophobic calix[6]arenes derivatized at the ‘‘lower rim’ were employed

  大环配体是根据离子识别原理设计的，合成并测试了它们提取Au III 的能力。与其他在络合前需要配体交换的络合剂不同，报道的配体结合了络合物 AuCl3 和 AuCl4 - 。具有足够大的大环腔，在“下边缘”衍生的疏水杯[6]芳烃被用于该目的。它们的连接官能团包含吡啶基、酰胺或硫代酰胺基团，以实现电子供体-受体和静电宿主-客体相互作用。我们
• Hexa(1,1,3,3-tetramethyl-butyl)-hexakis(dimethylphosphinoyl-methoxy)-calix[6]arene: Synthesis, characterization and implementation as a synergistic agent in the solvent extraction of lanthanoids
  作者：Sabi Varbanov、Emil Tashev、Nikolay Vassilev、Maria Atanassova、Victoria Lachkova、Tania Tosheva、Stoycho Shenkov、Ivan Dukov

  DOI：10.1016/j.poly.2017.06.013

  日期：2017.9

  A new lower rim phosphorus-containing calix[6]arene with six dimethyl-methylene phosphine oxide groups, namely 5,11,17,23,29,35-hexa(1,1,3,3-tetramethyl-butyl)-37,38,39,40,41,42-hexakis(dimethylphosphinoylmethyleneoxy)-calix[6]arene (S), has been synthesized and characterized. The structure of this calix[6]arene was identified and confirmed by elemental analysis, IR, H-1 and P-31H} NMR spectroscopy and ESI-mass-spectrometry. The H-1 and P-31(H} NMR spectra indicate that at room temperature in DMSO-d(6) and 1,1,2,2-tetrachloroethane-d(2) solutions, S exists as a mixture of conformers. The synergistic solvent extraction of selected lanthanoid ions (La, Nd, Eu, Ho, Lu) with 4-benzoy1-3methyl-l-pheny1-5-pyrazolone (HP) and Sin chloroform has been studied. It was found that in the presence of S the lanthanoid ions have been extracted as LnP(3)S species. A very large synergistic enhancement (up to 10(5)) was established. The stoichiometry and the structure of the solid complex of Eu(III) with HP and S (1:3:1) were proposed based on elemental analysis, IR, H-1 NMR and P-31 NMR data. (C) 2017 Elsevier Ltd. All rights reserved.
• Calixarenes. 14. The conformational properties of the ethers and esters of the calix[6]arenes and the calix[8]arenes
  作者：C. David Gutsche、Lorenz J. Bauer

  DOI：10.1021/ja00307a039

  日期：1985.10
• METAL COMPOUNDS OF CALIXARENES, DETERGENT COMPOSITIONS CONTAINING THEM AND USE THEREOF IN LUBRICANT COMPOSITIONS
  申请人：Eni S.p.A.

  公开号：US20180237375A1

  公开（公告）日：2018-08-23

  The present invention relates to a metal compound of calixarene not containing sulfur and dispersible in oil, which can be partially salified, or neutral, or basic or overbased, said calixarene having general formula (I) in which: a) R 1 , R 2 , R 3 and R 4 are independently selected from hydrogen, or a group containing carbon and hydrogen, or a group containing in addition to carbon and hydrogen also heteroatoms, provided that said heteroatoms are not sulfur; b) one of the two substituents R 5 and R 6 is hydrogen, while the other may be selected from hydrogen, or a linear or branched alkyl with a number of carbon atoms between 1 and 6, preferably methyl, ethyl, 1-propyl, 2-propyl, n-butyl, sec-butyl, more preferably methyl or ethyl; c) n is the number of units of the calixarene ring and is comprised in the range between 4 and 16, preferably between 5 and 12; said calixarene being characterized in that in at least one of the n units of the calixarene ring, at least one of the substituents R 1 , R 2 , R 3 and R 4 contains at least one acid group of carboxylic type available for the reaction with a metal base, with the proviso that said acid group of carboxylic type is not contained in a unit of the calixarene ring derived from salicylic acid.

  本发明涉及一种不含硫且可在油中分散的杯芳烃金属化合物，可以部分盐化，或中性，或碱性或过基化，所述杯芳烃具有通式（I），其中：a) R1、R2、R3和R4独立地选自氢，或含碳和氢的基团，或除碳和氢外还含有杂原子的基团，前提是所述杂原子不是硫；b) 两个取代基R5和R6中的一个是氢，而另一个可以选自氢，或具有1到6个碳原子的直链或支链烷基，优选是甲基、乙基、1-丙基、2-丙基、正丁基、异丁基，更优选是甲基或乙基；c) n是杯芳烃环的单位数，范围在4到16之间，优选在5到12之间；所述杯芳烃的特征在于，在杯芳烃环的至少一个n个单位中，至少一个取代基R1、R2、R3和R4中含有至少一个羧基的酸性羧基，可用于与金属碱发生反应，但前提是所述羧基不含在源自水杨酸的杯芳烃环的单位中。
• GUTSCHE, C. D.;BAUER, L. J., J. AMER. CHEM. SOC., 1985, 107, N 21, 6059-6063
  作者：GUTSCHE, C. D.、BAUER, L. J.

  DOI：——

  日期：——