| 142179-29-1

• 分子结构分类: 有机化合物 - 苯类化合物
• CAS: 142179-29-1
• 化学式: C₄₄H₄₈O₄
• 分子量: 640.863
• InChiKey: HJSQNFXYJFNBDG-IYMPVJEUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.86
• 重原子数：
  48.0
• 可旋转键数：
  0.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  80.92
• 氢给体数：
  4.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 盐酸 、 乙醇 、 sodium 、 sodium hydride 作用下， 以 四氢呋喃 、 氨 、 N,N-二甲基甲酰胺 为溶剂， 反应 28.0h， 生成 Heptacyclo[21.9.4.47,17.13,31.15,9.115,19.121,25]tetratetraconta-1,3(37),5(44),6,8,15,17,19(39),21(38),22,24,31-dodecaene-2,6,18,22-tetrol
  参考文献：
  名称：

  Synthesis and characterization of calixarene analogs locked in the cone conformation by the dimerization of syn-dihydroxymetacyclophanes as a building block

  摘要：

  syn-Dihydroxymetacyclophanes were converted to bridged calix[4]arene analogs by base-catalyzed condensation with formaldehyde. A remarkable template effect was observed on this condensation. Enlarged calix[4]arene analogs were synthesized by two different methods. All calix[4]arene analogs took the cone-type conformation and kept it even at high temperatures, according to the elucidation by H-1 NMR spectroscopy. The acidities (pKapp) of calix[4]arene analogs, which partially form the hydrogen bonding, were medium values in the range of 5.1-5.5. Calix[4]arene analogs can transport Li+ ion considerably and show the selectivity for Li+ over Na+ ions 15 and 30 in the weak basic and neutral solutions, respectively. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)01127-3
• 作为产物：
  描述：

  聚合甲醛 、 9,15-dihydroxy<2^12,13><5.2>metacyclophane 在 lithium hydroxide 作用下， 以 二乙二醇二甲醚 为溶剂， 反应 12.0h， 以89%的产率得到
  参考文献：
  名称：

  Synthesis and characterization of calixarene analogs locked in the cone conformation by the dimerization of syn-dihydroxymetacyclophanes as a building block

  摘要：

  syn-Dihydroxymetacyclophanes were converted to bridged calix[4]arene analogs by base-catalyzed condensation with formaldehyde. A remarkable template effect was observed on this condensation. Enlarged calix[4]arene analogs were synthesized by two different methods. All calix[4]arene analogs took the cone-type conformation and kept it even at high temperatures, according to the elucidation by H-1 NMR spectroscopy. The acidities (pKapp) of calix[4]arene analogs, which partially form the hydrogen bonding, were medium values in the range of 5.1-5.5. Calix[4]arene analogs can transport Li+ ion considerably and show the selectivity for Li+ over Na+ ions 15 and 30 in the weak basic and neutral solutions, respectively. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)01127-3

文献信息

• The selective extraction and transport of amino acids by calix[4]arene-derived esters
  作者：Yukihiro Okada、Yoshinori Kasai、Jun Nishimura

  DOI：10.1016/0040-4039(94)02251-6

  日期：1995.1

  New calix[4]arene analogs having chiral pendant groups efficiently extracted Phe, Phg, and Trp esters as well as their Z-carboxylates. These receptors also recognized the chirality of the L-amino acids in transport experiments.

  具有手性侧基的新杯[4]芳烃类似物有效地提取了Phe，Phg和Trp酯及其Z-羧酸酯。这些受体在运输实验中也认识到L-氨基酸的手性。
• A new class of chiral calix[4]arenes as receptors with planar chirality
  作者：Yukihiro Okada、Manabu Mizutani、Fuyuhiko Ishii、Jun Nishimura

  DOI：10.1016/s0040-4039(97)10408-7

  日期：1997.12

  The modification of title compounds to chiral receptors and their characterization are reported. The tno synthetic methods were developed The racemates obtained could be resolved to each stable enantiomer by achiral HPLC column. Chiral calixarenes were designed as the receptors with planar chirality. The (-)-receptor strongly forms 1:1 complex with (R)-(+)-alpha-phenylethylammonium picrate. (C) 1997 Elsevier Science Ltd.