(28-Acetyloxy-11,17,23-tritert-butyl-25,26,27-tripropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl) acetate | 910295-29-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: (28-Acetyloxy-11,17,23-tritert-butyl-25,26,27-tripropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl) acetate
• CAS: 910295-29-3
• 化学式: C₅₃H₇₀O₇
• 分子量: 819.135
• InChiKey: VRARMGBERNJOPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.8
• 重原子数：
  60
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (28-Acetyloxy-11,17,23-tritert-butyl-25,26,27-tripropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl) acetate 、 1,4-bis[2-(2-(2-(2-toluene-p-sulfonylethoxy)ethoxy)ethoxy)ethoxy]benzene 在 sodium hydroxide 作用下， 以 乙腈 为溶剂， 反应 120.0h， 以70%的产率得到20,26,32-Tritert-butyl-58,59,60-tripropoxy-2,5,8,11,14,39,42,45,48,51-decaoxaheptacyclo[50.2.2.116,38.118,22.124,28.130,34.015,36]hexaconta-1(55),15,18,20,22(60),24(59),25,27,30(58),31,33,36,38(57),52(56),53-pentadecaene
  参考文献：
  名称：

  Synthesis and self-assembly of novel calix[4]arenocrowns: formation of calix[4]areno[2]catenanes

  摘要：

  A series of novel calix[4]arenocrowns la-c were efficiently synthesized by a one-pot reaction of calix[4]monohydroquinone diacetate 5 with ditosylate 6 and its analogues in the presence of sodium hydroxide. It was found that the calix[4]arenocrowns could form stable pseudorotaxane-type complexes 2a-c with paraquat, and further self-assemble into calix[4]areno[2]catenanes 3a-C with dicationic salt 8 and p-bis(bromomethyl)benzene. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.06.108
• 作为产物：
  描述：

  tris(propoxy)-4-tert-butylcalix[4]arene 在 溶剂黄146 、 锌 、 thallium(III) trifluoroacetate 作用下， 以 三氟乙酸 为溶剂， 反应 14.0h， 生成 (28-Acetyloxy-11,17,23-tritert-butyl-25,26,27-tripropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl) acetate
  参考文献：
  名称：

  Synthesis and self-assembly of novel calix[4]arenocrowns: formation of calix[4]areno[2]catenanes

  摘要：

  A series of novel calix[4]arenocrowns la-c were efficiently synthesized by a one-pot reaction of calix[4]monohydroquinone diacetate 5 with ditosylate 6 and its analogues in the presence of sodium hydroxide. It was found that the calix[4]arenocrowns could form stable pseudorotaxane-type complexes 2a-c with paraquat, and further self-assemble into calix[4]areno[2]catenanes 3a-C with dicationic salt 8 and p-bis(bromomethyl)benzene. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.06.108