1,3:2,4-biscrown-5-calix<4>arene | 157769-13-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,3:2,4-biscrown-5-calix<4>arene
• 英文别名: calix[4]arene-bis-crown[5] ether；1,3:2,4-biscrown-5-calix[4]arene；3,6,9,12,15,29,32,35,38,41-Decaoxaheptacyclo[25.25.1.117,43.02,49.016,21.023,28.042,47]tetrapentaconta-1(52),2(49),16,18,20,23,25,27,42(47),43,45,50-dodecaene
• CAS: 157769-13-6
• 化学式: C₄₄H₅₂O₁₀
• 分子量: 740.891
• InChiKey: NCPCUQQRARKIMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  54
• 可旋转键数：
  0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  92.3
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  mercuric(II) nitrate monohydrate 、 1,3:2,4-biscrown-5-calix<4>arene 以 甲醇 为溶剂， 生成 [Hg(calix[4]arene-bis-crown[5] ether)](2+)
  参考文献：
  名称：

  硫杯芳烃的离子识别：硫杯[4]芳烃-双冠[n]醚对碱金属和重金属离子的结合

  摘要：

  通过提取实验检查了两种硫杯 [4] 芳烃-双冠 [n] 衍生物（n = 5 和 6）的结合特性。测定所得配合物在甲醇中的稳定性常数。用硫原子取代桥接 CH2 基团导致碱金属离子的萃取和络合水平大大降低，但不影响冠醚系列内的选择性。从thiacalix[4]arene-bis-crown[n]醚到它们的calix[4]arene-bis-crown[n]对应物时，与重金属离子的配合物的稳定性没有显着变化；因此，无法得出关于这些阳离子与硫原子之间可能相互作用的明确结论。

  DOI：

  10.1023/b:rucb.0000046253.11118.9e
• 作为产物：
  描述：

  四乙二醇二对甲苯磺酸酯 、 杯[4]芳烃 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 168.0h， 以53%的产率得到1,3:2,4-biscrown-5-calix<4>arene
  参考文献：
  名称：

  Doubly Crowned Calix[4]arenes in the 1,3-Alternate Conformation as Cesium-Selective Carriers in Supported Liquid Membranes

  摘要：

  Calix[4]biscrowns 9-15 in the 1,3-alternate conformation are prepared by a one-step procedure in similar to 50-80% yields, which are sufficiently high enough to allow their use as selective cesium carriers in supported liquid membranes (SLMs). The application of the Danesi diffusional model allows the transport isotherms of trace level Cs-137 through SLMs (containing calix[4]biscrowns) to be determined as a function of the ionic concentration of the aqueous feed solutions. Compound 13 appeared to be much more efficient than mixtures of crown ethers and acidic exchangers, especially in very acidic media. Decontamination factors greater than 20 are obtained in the treatment of synthetic acidic radioactive wastes. Permeability coefficient measurements are conducted for repetitive transport experiments in order to qualify the SMLs' stability with time. Very good results (over 50 days of stability) and high decontamination yields are observed with 1,3-calix[4]biscrowns 13 and 14, The 1,3-calix[4]biscrowns are shown to be a new family of selective carriers for cesium removal from radioactive liquid wastes.

  DOI：

  10.1021/ac00114a006

文献信息

• Cation binding properties of a novel 1,3-alternate calix[4]biscrown. Formation of 1:1 and 1:2 complexes and unique cation tunneling across a calix[4]arene cavity
  作者：Kwang Nak Koh、Koji Araki、Seiji Shinkai、Zouhair Asfari、Jacques Vicens

  DOI：10.1016/0040-4039(95)01212-z

  日期：1995.8

  A novel 1,3-alternate calix[4]biscrown was synthesized by the reaction of calix[4]arene and tetraethyleneglycol ditosylate in the presence of K-2 CO3. It formed a 1:2 complex as well as a 1:1 complex with alkali metal and ammonium cations and the cation tunneling phenomenon across the calix[4]arene cavity was detectable with H-1 NMR spectroscopy even at room temperature.