26,28-Dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17,25,27-tetrol | 394222-22-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 26,28-Dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17,25,27-tetrol
• CAS: 394222-22-1
• 化学式: C₃₄H₃₆O₆
• 分子量: 540.656
• InChiKey: NSKGXSBQQCCRHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  99.4
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  26,28-Dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17,25,27-tetrol 、 5,17-Bis(bromomethyl)-26,28-dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-25,27-diol 在 caesium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以38%的产率得到9,19,28,38-Tetrapropoxy-4,24-dioxaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),6(59),7,9,12(58),13,15,18,20,22(50),25(49),26,28,31,33,35(48),37,40(46),41,43,52,54,56(60)-tetracosaene-46,48,58,60-tetrol
  参考文献：
  名称：

  Synthesis of biscalix[4]arene with enhanced binding ability to a cationic guest

  摘要：

  The biscalix[4]arene showed remarkably enhanced inclusion ability Cor the N-methylpyridinium ion due to the increasing pi -basicity of the benzene rings, which interact with the guest in an edge-to-face manner, in calix[4]arene skeletons. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01577-5
• 作为产物：
  描述：

  25,27-Bis(phenylmethoxy)-26,28-dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-diol 在 三甲基溴硅烷 作用下， 以 氯仿 为溶剂， 反应 1.0h， 以80%的产率得到26,28-Dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17,25,27-tetrol
  参考文献：
  名称：

  Synthesis of biscalix[4]arene with enhanced binding ability to a cationic guest

  摘要：

  The biscalix[4]arene showed remarkably enhanced inclusion ability Cor the N-methylpyridinium ion due to the increasing pi -basicity of the benzene rings, which interact with the guest in an edge-to-face manner, in calix[4]arene skeletons. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01577-5