7,15,23-Tris(bromomethyl)-25,26,27-trimethoxy-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene | 271789-12-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 7,15,23-Tris(bromomethyl)-25,26,27-trimethoxy-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene
• CAS: 271789-12-9
• 化学式: C₃₀H₃₃Br₃O₆
• 分子量: 729.3
• InChiKey: XVFNOFULAFBCQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  39
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  苯-1,3,5-三甲基硫醇 、 7,15,23-Tris(bromomethyl)-25,26,27-trimethoxy-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene 在 CsCO₃ 作用下， 以 四氢呋喃 为溶剂， 以36%的产率得到2,16,42-Trimethoxy-5,13,34-trioxa-21,29,39-trithiaheptacyclo[15.15.3.39,25.13,31.17,11.115,19.123,27]dotetraconta-1,3(36),7,9,11(42),15,17,19(41),23,25,27(37),31-dodecaene
  参考文献：
  名称：

  Syntheses and ion binding properties of novel cage molecules derived from homooxacalix[3]arene

  摘要：

  Novel cage molecules were synthesized by capping of the homooxacalix[3]arene on the upper rim. Comparison with a reference compound established that the appropriate cavity size and rigid structure led to the very high Cs' selectivity. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00034-4
• 作为产物：
  描述：

  [15,23-Bis(hydroxymethyl)-25,26,27-trimethoxy-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13,15,17(26),21(25),22-nonaen-7-yl]methanol 在 三溴化磷 作用下， 以 二氯甲烷 为溶剂， 以71%的产率得到7,15,23-Tris(bromomethyl)-25,26,27-trimethoxy-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene
  参考文献：
  名称：

  Syntheses and ion binding properties of novel cage molecules derived from homooxacalix[3]arene

  摘要：

  Novel cage molecules were synthesized by capping of the homooxacalix[3]arene on the upper rim. Comparison with a reference compound established that the appropriate cavity size and rigid structure led to the very high Cs' selectivity. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00034-4