25,27-bis[(3-phthalimidopropyl)oxy]-calix[4]arene | 252357-72-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 25,27-bis[(3-phthalimidopropyl)oxy]-calix[4]arene
• 英文别名: 2-[3-[[27-[3-(1,3-Dioxoisoindol-2-yl)propoxy]-26,28-dihydroxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]propyl]isoindole-1,3-dione
• CAS: 252357-72-5
• 化学式: C₅₀H₄₂N₂O₈
• 分子量: 798.892
• InChiKey: UPNIFKQNOFCSTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  60
• 可旋转键数：
  10
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  25,27-bis[(3-phthalimidopropyl)oxy]-calix[4]arene 在 肼 作用下， 以 乙醇 为溶剂， 反应 24.0h， 生成 25,27-bis[(3-aminopropyl)oxy]calix[4]arene
  参考文献：
  名称：

  新型杯[4]芳烃衍生物的合成及其细胞毒活性评价

  摘要：

  Since calixarenes are more easily synthesized and functionalized than other supramolecules, they are compounds of interest in organic chemistry. In this study, the dihydrazide (3a and 3b) and diamino propyl (6a and 6b) derivatives of p-tert-butylcalix[4]arene and calix[4]arene were synthesized. Then the L-proline methyl ester substituted chlorocyclopropenium was reacted with the calix[4]arene derivatives

  DOI：

  10.1007/s00044-021-02813-7
• 作为产物：
  描述：

  5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene 在 aluminum (III) chloride 、 potassium carbonate 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 24.0h， 生成 25,27-bis[(3-phthalimidopropyl)oxy]-calix[4]arene
  参考文献：
  名称：

  新型杯[4]芳烃衍生物的合成及其细胞毒活性评价

  摘要：

  Since calixarenes are more easily synthesized and functionalized than other supramolecules, they are compounds of interest in organic chemistry. In this study, the dihydrazide (3a and 3b) and diamino propyl (6a and 6b) derivatives of p-tert-butylcalix[4]arene and calix[4]arene were synthesized. Then the L-proline methyl ester substituted chlorocyclopropenium was reacted with the calix[4]arene derivatives

  DOI：

  10.1007/s00044-021-02813-7

文献信息

• Cavity-containing supramolecular gels as a crystallization tool for hydrophobic pharmaceuticals
  作者：Lena Kaufmann、Stuart R. Kennedy、Christopher D. Jones、Jonathan W. Steed

  DOI：10.1039/c6cc04037c

  日期：——

  We present two approaches to low-molecular-weight supramolecular gels bearing hydrophobic cavities based on calixarene-containing building blocks. Gels are formed by a calixarene based tetrahydrazide gelator or a co-gel of a...

  我们提出了两种方法，以低分子量超分子凝胶为基础，这些凝胶具有基于含杯芳烃的结构单元的疏水腔。凝胶是由基于杯芳烃的四酰肼胶凝剂或硅藻土的共凝胶形成的。
• Novel Triphenylamine Appended 1,3-<i>Alternate</i>-Calix[4]arenes: Synthesis and Characterization
  作者：Serkan Erdemir、Mustafa Yilmaz

  DOI：10.1080/00397911.2012.659830

  日期：2013.6.18

  novel calix[4]arene receptors containing triphenylamine units in 1,3-alternate conformation have been synthesized and characterized in detail. First, the 25,27-dipropoxy-26,28-bis[(3-aminopropyl)oxy]-calix[4]arene 4 and 25,26,27,28-tetra[(3-aminopropyl)oxy]-calix[4]arene 7 were prepared by using convenient reagents. Then, these amino derivatives of calix[4]arene were converted to Schiff base derivatives

  摘要 本研究合成并详细表征了两种新型杯[4]芳烃受体，其含有1,3-交替构象的三苯胺单元。首先，25,27-二丙氧基-26,28-双[(3-氨基丙基)氧基]-杯[4]芳烃4和25,26,27,28-四[(3-氨基丙基)氧基]-杯[ 4]芳烃7是通过使用方便的试剂制备的。然后，使用4-甲酰基三苯胺通过缩合将这些杯[4]芳烃的氨基衍生物转化为附加到杯[4]芳烃(5和8)的三苯胺上的席夫碱衍生物。合成的杯[4]芳烃的1,3-交替构象通过1H和13C NMR分析确定。此外，它们的结构已通过使用 1H 和 13C NMR、红外和元素分析进行​​表征。补充材料可用于本文。去出版商' 的 Synthetic Communications® 在线版以查看免费的补充文件。图形概要
• Synthesis and electrochemical properties of calix[4]arene derivatives containing ferrocene units in the cone and 1,3-alternate conformation
  作者：Serkan Erdemir、Pervin Deveci、Bilge Taner、Ozcan Kocyigit

  DOI：10.1016/j.tet.2011.10.117

  日期：2012.1

  Two novel calix[4]arene receptors containing ferrocene units in cone (L1) and 1,3-alternate (L2) conformations have been synthesized from 25,27-dihydroxy-26,28-bis[(3-aminopropyl)oxy]calix[4]arene 4 or 25,26,27,28-tetra[(3-aminopropyl)oxy]calix[4]arene 6 and ferrocenecarboxaldehyde via condensation, respectively. Their structures have been characterized by 1H, 13C, APT, COSY NMR, FTIR, HSMR, and UV–vis

  两种新型杯[4]芳烃含有二茂铁单元受体锥体（大号1）和1,3-交替（大号2）构象已经从25,27二羟基26,28双合成[（3-氨基丙基）氧基通过缩合反应分别形成] calix [4]芳烃4或25,26,27,28-四[（3-氨基丙基）氧基] calix [4]芳烃6和二茂铁甲醛。它们的结构已通过1 H，13 C，APT，COZY NMR，FTIR，HSMR和UV-vis光谱数据表征。的电化学行为大号1和大号2已在F的存在下进行了研究-，氯- ，溴-，H 2 PO 4 -，CH 3 COO -的阴离子。电化学研究表明，这些受体电化学识别CH 3 COO -，H 2 PO 4 -和Cl - ，阴离子。使用UV-vis研究，证实了在DMSO溶液中对这些阴离子的选择性。
• Facilitated Transport of Hydrophilic Salts by Mixtures of Anion and Cation Carriers and by Ditopic Carriers
  作者：Lysander A. J. Chrisstoffels、Feike de Jong、David N. Reinhoudt、Stefano Sivelli、Licia Gazzola、Alessandro Casnati、Rocco Ungaro

  DOI：10.1021/ja991588g

  日期：1999.11.1

  Anion transfer to the membrane phase affects the extraction efficiency of salt transport by cation carriers 1 and 3. Addition of anion receptors 5 or 6 to cation carriers 1, 3, or 3 in the membrane phase enhances the transport of salts under conditions in which the cation carriers alone do not transport salt. The extraction of salt by the carrier mixtures is larger than by cation or anion carrier only, but the rate of diffusion is lower. Ditopic receptors 8 and 9 transport CsCl or KCl much faster than monotopic anion receptor 7 or cation receptors 1 and 2. The faster transport is due to a higher extraction constant K-ex despite a lower diffusion constant of the ditopic salt complex.
• New amino-functionalized 1,3-alternate calix[4]arene bis- and mono-(benzo-crown-6 ethers) for pH-switched cesium nitrate extraction
  作者：Maryna G. Gorbunova、Peter V. Bonnesen、Nancy L. Engle、Eve Bazelaire、Lætitia H. Delmau、Bruce A. Moyer

  DOI：10.1016/s0040-4039(03)01310-8

  日期：2003.7

  Four calix[4]arene benzo-crown-6 ethers functionalized with primary amine groups in various positions have been synthesized. The cesium extraction behavior under alkaline and acidic conditions has been measured for these compounds and compared with that of non-amine containing analogs. Extraction strength when the amine group is neutral is not affected by the amino substituent, but protonation causes a marked decrease in extraction strength, permitting pH-switched back-extraction. Published by Elsevier Science Ltd.