(12Z)-3,6,19,22-tetraoxaoctacyclo[22.15.7.17,11.114,18.130,34.141,45.02,36.023,28]pentaconta-1(39),2(36),7,9,11(50),12,14(49),15,17,23(28),24,26,30,32,34(48),37,41(47),42,44-nonadecaene-47,48-diol | 934022-93-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (12Z)-3,6,19,22-tetraoxaoctacyclo[22.15.7.17,11.114,18.130,34.141,45.02,36.023,28]pentaconta-1(39),2(36),7,9,11(50),12,14(49),15,17,23(28),24,26,30,32,34(48),37,41(47),42,44-nonadecaene-47,48-diol
• CAS: 934022-93-2
• 化学式: C₄₆H₄₀O₆
• 分子量: 688.82
• InChiKey: MWSXDXRPHFLABD-VXPUYCOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  52
• 可旋转键数：
  0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  77.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (12Z)-3,6,19,22-tetraoxaoctacyclo[22.15.7.17,11.114,18.130,34.141,45.02,36.023,28]pentaconta-1(39),2(36),7,9,11(50),12,14(49),15,17,23(28),24,26,30,32,34(48),37,41(47),42,44-nonadecaene-47,48-diol 、 四乙二醇二对甲苯磺酸酯 在 四丁基溴化铵 、 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以84%的产率得到
  参考文献：
  名称：

  Stilbene-bridged 1,3-alternate calix[4]arene crown ether for selective alkali ion extraction

  摘要：

  A series of stilbene-bridged calix[4]arenes was synthesized through an intramolecular reductive McMurry coupling of hisbenzaldehyde calix[4]arene in high yields. Tetra- and pentaethylene glycol chains were tethered to the phenolic groups of calix[4]arene to form stilbene-bridged calix[4]arene crown-5 and crown-6, respectively. The presence of stilbene bridge over the calix[4]arene rim effectively prevented the connection of the polyether chains in the cone conformation resulting in the exclusive formation of 1,3-alternate stilbene-bridged calix[4]arene crown product. Compared to the cone analogues, the 1,3-alternate calix[4]arene crown ethers showed a greater extraction ability and selectivity toward Cs+. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2007.01.026
• 作为产物：
  描述：

  3-[2-[[27-[2-(3-Formylphenoxy)ethoxy]-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]ethoxy]benzaldehyde 在 四氯化钛 、 锌 作用下， 以 四氢呋喃 为溶剂， 反应 27.0h， 以37%的产率得到(12Z)-3,6,19,22-tetraoxaoctacyclo[22.15.7.17,11.114,18.130,34.141,45.02,36.023,28]pentaconta-1(39),2(36),7,9,11(50),12,14(49),15,17,23(28),24,26,30,32,34(48),37,41(47),42,44-nonadecaene-47,48-diol
  参考文献：
  名称：

  Stilbene-bridged 1,3-alternate calix[4]arene crown ether for selective alkali ion extraction

  摘要：

  A series of stilbene-bridged calix[4]arenes was synthesized through an intramolecular reductive McMurry coupling of hisbenzaldehyde calix[4]arene in high yields. Tetra- and pentaethylene glycol chains were tethered to the phenolic groups of calix[4]arene to form stilbene-bridged calix[4]arene crown-5 and crown-6, respectively. The presence of stilbene bridge over the calix[4]arene rim effectively prevented the connection of the polyether chains in the cone conformation resulting in the exclusive formation of 1,3-alternate stilbene-bridged calix[4]arene crown product. Compared to the cone analogues, the 1,3-alternate calix[4]arene crown ethers showed a greater extraction ability and selectivity toward Cs+. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2007.01.026