5,11,17,23,29,35,41-heptaphenyl-43,44,45,46,47,48,49-heptahydroxycalix[7]arene

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 5,11,17,23,29,35,41-heptaphenyl-43,44,45,46,47,48,49-heptahydroxycalix[7]arene
• 英文别名: p-phenylcalix[7]arene；5,11,17,23,29,35,41-Heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol
• 化学式: C₉₁H₇₀O₇
• 分子量: 1275.55
• InChiKey: KNKUPBODNPZVJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.3
• 重原子数：
  98
• 可旋转键数：
  7
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  142
• 氢给体数：
  7
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  5,11,17,23,29,35,41-heptaphenyl-43,44,45,46,47,48,49-heptahydroxycalix[7]arene 、 4-溴丁腈 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 336.25h， 以18%的产率得到5,11,17,23,29,35,41-heptaphenyl-43,44,45,46,47,48,49-heptakis(cyanopropoxy)calix[7]arene
  参考文献：
  名称：

  Synthesis and in vivo biological activity of large-ringed calixarenes against Mycobacterium tuberculosis

  摘要：

  A series of large-ringed calix[6,7,8]arene analogues have been synthesised and their affect against Mycobacterium tuberculosis in vivo established. In general, when p-phenylcalixarenes and tert-butylcalixarenes were not functionalised at the lower rim, low biological activities were observed. However on going from partially to fully lower rim pegylated calixarenes the anti-mycobacterial properties improved. The addition of cyanopropoxy groups at the lower rim gave rise to low activities, whereas the addition of acetate moieties interestingly had pro-TB effects. Two upper rim sulfonated calixarenes showed promising properties. In the course of this work, a high yielding procedure to synthesise p-phenylcalix[7]arene was also established. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.11.034
• 作为产物：
  描述：

  聚合甲醛 、 对羟基联苯 在 base 作用下， 以41%的产率得到5,11,17,23,29,35,41-heptaphenyl-43,44,45,46,47,48,49-heptahydroxycalix[7]arene
  参考文献：
  名称：

  Boehmer, Volker, Angewandte Chemie, 1995, vol. 107, # 7, p. 785 - 818

  摘要：

  DOI：

文献信息

• Synthesis and in vivo biological activity of large-ringed calixarenes against Mycobacterium tuberculosis
  作者：Kerry J. Goodworth、Anne-Cécile Hervé、Evangelos Stavropoulos、Gwénaelle Hervé、Isabel Casades、Alison M. Hill、Gordon G. Weingarten、Ricardo E. Tascon、M. Joseph Colston、Helen C. Hailes

  DOI：10.1016/j.tet.2010.11.034

  日期：2011.1

  A series of large-ringed calix[6,7,8]arene analogues have been synthesised and their affect against Mycobacterium tuberculosis in vivo established. In general, when p-phenylcalixarenes and tert-butylcalixarenes were not functionalised at the lower rim, low biological activities were observed. However on going from partially to fully lower rim pegylated calixarenes the anti-mycobacterial properties improved. The addition of cyanopropoxy groups at the lower rim gave rise to low activities, whereas the addition of acetate moieties interestingly had pro-TB effects. Two upper rim sulfonated calixarenes showed promising properties. In the course of this work, a high yielding procedure to synthesise p-phenylcalix[7]arene was also established. (C) 2010 Elsevier Ltd. All rights reserved.
• Boehmer, Volker, Angewandte Chemie, <hi>1995</hi>, vol. 107, # 7, p. 785 - 818
  作者：Boehmer, Volker

  DOI：——

  日期：——