5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrapentoxy-calix<4>arene | 176951-25-0

• 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-tetrapentoxy-calix<4>arene
• 英文别名: 5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrapentoxycalix[4]arene；5,11,17,23-tetratert-butyl-25,26,27,28-tetrapentoxypentacyclo[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-dodecaene
• CAS: 176951-25-0
• 化学式: C₆₄H₉₆O₄
• 分子量: 929.464
• InChiKey: WOQNIGFXXXIGNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.4
• 重原子数：
  68
• 可旋转键数：
  24
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrapentoxy-calix<4>arene 在 硝酸 、 溶剂黄146 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 12.0h， 以76%的产率得到11,17,23-tri-t-butyl-5-nitro-25,26,27,28-tetrapentyloxycalix[4]arene
  参考文献：
  名称：

  杯芳烃作为轮烷中的塞子

  摘要：

  首次描述了带有杯[4]芳烃保护基团的酰胺基轮烷7a的合成。虽然如果杯[4]芳烃在上缘被官能化且仅具有氨基或甲氨基且没有任何间隔基团，则轮烷形成失败​​，但延长的胺5a成功地用作阻止单元，防止二聚体轮1a因其尺寸而脱线。仅通过胺5b、轴6和1a的反应混合物的MALDI-TOF质谱法观察到8b的轮烷形成。使用较大的三聚体轮1b 无法获得稳定的轮烷。它要么不能作为凹模板，要么它的开口太宽，即使对于笨重的杯芳烃塞子也是如此。

  DOI：

  10.1002/(sici)1099-0690(199801)1998:1<155::aid-ejoc155>3.0.co;2-e
• 作为产物：
  描述：

  5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以77%的产率得到5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrapentoxy-calix<4>arene
  参考文献：
  名称：

  Matthews, Susan E.; Saadioui, Mohamed; Boehmer, Volker, Journal fur Praktische Chemie (Weinheim), 1999, vol. 341, # 3, p. 264 - 273

  摘要：

  DOI：

文献信息

• Inclusion Complexes of a New Family of Non-Ionic Amphiphilic Dendrocalix[4]arene and Poorly Water-Soluble Drugs Naproxen and Ibuprofen
  作者：Khalid Khan、Syed Badshah、Nasir Ahmad、Haroon Rashid、Yahia Mabkhot

  DOI：10.3390/molecules22050783

  日期：——

  The inclusion complexes of a new family of nonionic amphiphilic calix[4]arenes with the anti-inflammatory hydrophobic drugs naproxen (NAP) and ibuprofen (IBP) were investigated. The effects of the alkyl chain’s length and the inner core of calix[4]arenes on the interaction of the two drugs with the calix[4]arenes were explored. The inclusion complexes of Amphiphiles 1a–c with NAP and IBP increased

  研究了一个新家族的非离子两亲杯[4]芳烃与抗炎疏水药物萘普生 (NAP) 和布洛芬 (IBP) 的包合物。探讨了烷基链长度和杯[4]芳烃内核对两种药物与杯[4]芳烃相互作用的影响。Amphiphiles 1a-c 与 NAP 和 IBP 的包合物增加了这些药物在水性介质中的溶解度。通过荧光、分子建模和 1H-NMR 分析研究了 1a-c 与药物在水性介质中的相互作用。TEM 研究进一步支持了包合物的形成。亲脂性烷基链的长度和 cailx[4] 芳烃衍生物 1a-c 的固有环状性质被发现对 NAP 和 IBP 在纯水中的溶解度有显着影响。
• Synthesis and Extraction Behaviour of Calix[4]arenes Partially Substituted at the Wide Rim by Carbamoylmethylphosphine Oxide (CMPO) Functions
  作者：Françoise Arnaud-Neu、Silvia Barboso、Volker Böhmer、Frédéric Brisach、Laetitia Delmau、Jean-François Dozol、Oliver Mogck、Erich F. Paulus、Mohamed Saadioui、Alexander Shivanyuk

  DOI：10.1071/ch03163

  日期：——

  Tetraethers of calix[4]arenes fixed in the cone conformation and substituted at their wide rim by one to three CMPO residues and hydrogen atoms or t-butyl moieties in the remaining position(s) were synthesized. Liquid/liquid extraction studies of selected lanthanides and actinides were undertaken with these calix[4]arenes, including also a linear trimer, in order to obtain a better understanding for

  杯[4]芳烃的四醚固定在锥形构象中并在其宽边缘处被一到三个CMPO残基和氢原子或剩余位置的叔丁基部分取代。使用这些杯 [4] 芳烃（包括线性三聚体）对选定的镧系元素和锕系元素进行液/液萃取研究，以便更好地了解被四种 CMPO 功能取代的相应杯 [4] 芳烃的萃取特性. 1,3-二-CMPO衍生物的结构通过单晶X射线分析确认。
• Supramolecular Materials: Molecular Packing of Tetranitrotetrapropoxycalix[4]arene in Highly Stable Films with Second-Order Nonlinear Optical Properties
  作者：Paul J. A. Kenis、Oscar F. J. Noordman、Holger Schönherr、Esther G. Kerver、Bianca H. M. Snellink-Ruël、Gerrit J. van Hummel、Sybolt Harkema、Cornelis P. J. M. van der Vorst、Jeff Hare、Stephen J. Picken、Johan F. J. Engbersen、Niek F. van Hulst、G. Julius Vancso、David N. Reinhoudt

  DOI：10.1002/(sici)1521-3765(19980710)4:7<1225::aid-chem1225>3.0.co;2-6

  日期：1998.7.10

  Highly stable films of tetranitrotetrapropoxycalix[4]arene (9) with second-order nonlinear optical (NLO) properties and a noncentrosymmetric structure were obtained by a novel crystallization process at 130-140 degrees C in a de electric field. The packing of 9 in these films was elucidated by a combination of X-ray diffraction, angle-dependent second-harmonic generation, and scanning force microscopy (SFM). The experimental results agree well with solid-state molecular dynamics calculations for these films. No crystalline phase was observed for nitrocalix[4]arene derivatives with longer or branched alkyl chains; this explains the limited NLO stability of films of these calixarenes. Scanning force microscopy on the aligned films of 9 showed two distinct surface lattice structures: a rectangular lattice (a = 9.3, b = 11.7 Angstrom) and a pseudohexagonal lattice (d approximate to 11.4 Angstrom). The combination of these data with the interlayer distance of 8.9 Angstrom (X-ray diffraction) allowed the packing of molecules of 9 in these structures to be fully elucidated at the molecular level.
• Covalently linked multi-calixarenes
  作者：O. Mogck、P. Parzuchowski、M. Nissinen、V. Böhmer、G. Rokicki、K. Rissanen

  DOI：10.1016/s0040-4020(98)00594-8

  日期：1998.8

  ipso-Nitration of t-butyl calix[4]arene tetraethers and subsequent hydrogenation provides an easy access to monoamino calix[4]arenes. Reaction with di- and triacid chlorides leads to various double- and triple-calix[4]arenes. With tetra-acid chlorides derived from calix[4]arenes in the cone- or 1,3-alternate-conformations penta-calix[4]arenes are available as molecularly uniform species, which may be regarded as the first generation of calix[4]arene based dendrimers. The structure of the mononitro tetraester derivative, which may serve as a general building block has been confirmed by single crystal X-ray analysis. (C) 1998 Elsevier Science Ltd. All rights reserved.