25,27-bis(tosyloxyethoxy)-26,28-calix[4]crown-5, 1,3-alternate | 721399-36-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 25,27-bis(tosyloxyethoxy)-26,28-calix[4]crown-5, 1,3-alternate
• 英文别名: 2-[[41-[2-(4-Methylphenyl)sulfonyloxyethoxy]-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1,16,18,20,23,25,27(41),29,31,34(40),35,37-dodecaen-40-yl]oxy]ethyl 4-methylbenzenesulfonate
• CAS: 721399-36-6
• 化学式: C₅₄H₅₈O₁₃S₂
• 分子量: 979.179
• InChiKey: DFUFRNYWTCVYOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  69
• 可旋转键数：
  12
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  168
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  2,2'-(1,2-乙二基双氧代)双乙硫醇 、 25,27-bis(tosyloxyethoxy)-26,28-calix[4]crown-5, 1,3-alternate 在 caesium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以60%的产率得到3,9,12,18,32,35,38,41,44-Nonaoxa-6,15-dithiaheptacyclo[28.25.1.120,46.02,52.019,24.026,31.045,50]heptapentaconta-1(55),2(52),19,21,23,26,28,30,45(50),46,48,53-dodecaene
  参考文献：
  名称：

  Calix[4]thiacrowns as Ditopic Hosts for Homo- and Heterobinuclear Accommodation:  First Report of a Chopsticks-Type π-Coordination

  摘要：

  Calix[4]thiacrowns with hetero-(1) and a homodonor set (L-2) were synthesized and characterized by X-ray analysis. From the reaction of L-2 with AgPF6, disilver complex [Ag-2(L-2)](PF6)(2) (1) was isolated. By comparing 1,3-alternate conformations of L-2 and 1, we found a considerable decrease of dihedral angles of two opposite aromatic rings upon complexation. This finding can be explained in terms of the "chopsticks process", which illustrates how Ag+-arene pi-coordination occurs. Heterobinuclear complexation of L-1 in solution was also observed.

  DOI：

  10.1021/ol062863o
• 作为产物：
  描述：

  1,2-双甲苯氧基乙烷 、 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以56%的产率得到25,27-bis(tosyloxyethoxy)-26,28-calix[4]crown-5, 1,3-alternate
  参考文献：
  名称：

  新型杯[4]天竺葵的合成及晶体结构

  摘要：

  合成了一系列在杯[4]芳烃骨架下缘具有单和双冠醚的新型1,3-异杯杯[4]芳烃氮杂冠。固态结构证实了化合物1-3的三维构象。

  DOI：

  10.1002/jhet.5570410211

文献信息

• A Calix-bis-crown with Hard and Soft Crown Cavities: Heterobinuclear K⁺/Ag⁺Complexation in Solid and Solution States
  作者：Jai Young Lee、Hyun Jee Kim、Chul Soon Park、Wonbo Sim、Shim Sung Lee

  DOI：10.1002/chem.200901580

  日期：2009.9.14

  Supramolecular complex: We describe the synthesis and structural characterization of the unsymmetrical calix[4]‐bis‐crown and its heterodinuclear K+ and Ag+ complex as a first case (see figure): both metal ions are stabilized not only by donor–metal dative bonds but also cation–π interactions, which can be visualized in terms of a chopsticks‐type π‐coordination process.

  超分子络合物：我们描述了不对称杯[4]-双冠及其异双核K +和Ag +络合物的合成和结构表征（见图）：两种金属离子不仅通过施主-金属稳定化阳离子键以及阳离子-π相互作用，可以通过筷子型π-配位过程来形象化。
• Synthesis and Color Modulation of an Unsymmetrical Calix[4]-bis-crown Incorporating p-Nitro-azobenzene as a Chromoionophoric Mixed Receptor
  作者：Hwan Gyu Lee、Joobeom Seo、Kyu Seong Choi

  DOI：10.5012/bkcs.2013.34.5.1543

  日期：2013.5.20
• Synthesis and crystal structures of novel calix[4]azacrowns
  作者：K. No、Hyun J. Lee、Ki M. Park、Shim S. Lee、Kwan H. Noh、Sung K. Kim、Ji Y. Lee、Jong S. Kim

  DOI：10.1002/jhet.5570410211

  日期：2004.3

  A series of novel 1,3-altemate calix[4]arene azacrowns having mono and bis crown ethers on the lower rim of the calix[4]arene framework were synthesized. Solid-state structures confirmed the three dimensional conformation of compounds 1–3.

  合成了一系列在杯[4]芳烃骨架下缘具有单和双冠醚的新型1,3-异杯杯[4]芳烃氮杂冠。固态结构证实了化合物1-3的三维构象。
• Calix[4]thiacrowns as Ditopic Hosts for Homo- and Heterobinuclear Accommodation:  First Report of a Chopsticks-Type π-Coordination
  作者：Jai Young Lee、Jongchul Kwon、Chul Soon Park、Ji-Eun Lee、Wonbo Sim、Jong Seung Kim、Joobeom Seo、Il Yoon、Jong Hwa Jung、Shim Sung Lee

  DOI：10.1021/ol062863o

  日期：2007.2.1

  Calix[4]thiacrowns with hetero-(1) and a homodonor set (L-2) were synthesized and characterized by X-ray analysis. From the reaction of L-2 with AgPF6, disilver complex [Ag-2(L-2)](PF6)(2) (1) was isolated. By comparing 1,3-alternate conformations of L-2 and 1, we found a considerable decrease of dihedral angles of two opposite aromatic rings upon complexation. This finding can be explained in terms of the "chopsticks process", which illustrates how Ag+-arene pi-coordination occurs. Heterobinuclear complexation of L-1 in solution was also observed.