tetrakis(4-bromophenyl)resorcin[4]arene octapentyl ether

• 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: tetrakis(4-bromophenyl)resorcin[4]arene octapentyl ether
• 英文别名: 2,8,14,20-Tetrakis(4-bromophenyl)-4,6,10,12,16,18,22,24-octapentoxypentacyclo[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-dodecaene
• 化学式: C₉₂H₁₁₆Br₄O₈
• 分子量: 1669.54
• InChiKey: JLAZTYBWAMNGET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  30.4
• 重原子数：
  104
• 可旋转键数：
  44
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  73.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  氰化亚铜 、 tetrakis(4-bromophenyl)resorcin[4]arene octapentyl ether 在 三氯化铁 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 1.0h， 以46%的产率得到tetrakis(4-cyanophenyl)resorcin[4]arene octapentyl ether
  参考文献：
  名称：

  Synthesis and Coordination Chemistry of Lower Rim Cavitand Ligands

  摘要：

  Four new cavitand ligands, modified at the lower rim with cyano and pyridyl functional groups, have been synthesized and their coordinative behaviour toward transition metal ions has been explored. The outcome of the self-assembly of these compounds in the presence of different metal precursors is biased toward the formation of intramolecular complexes, independent of the coordination geometry imposed by the metal centre. Dimeric species have been obtained by decreasing the number of ligands at the lower rim from four to two and by using a metal precursor capable of exchanging four ligands simultaneously.

  DOI：

  10.1002/1099-0690(200106)2001:12<2311::aid-ejoc2311>3.0.co;2-#
• 作为产物：
  描述：

  1-溴戊烷 、 4-bromophenyl-calix[4]resorcinarene 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以29%的产率得到tetrakis(4-bromophenyl)resorcin[4]arene octapentyl ether
  参考文献：
  名称：

  Synthesis and Coordination Chemistry of Lower Rim Cavitand Ligands

  摘要：

  Four new cavitand ligands, modified at the lower rim with cyano and pyridyl functional groups, have been synthesized and their coordinative behaviour toward transition metal ions has been explored. The outcome of the self-assembly of these compounds in the presence of different metal precursors is biased toward the formation of intramolecular complexes, independent of the coordination geometry imposed by the metal centre. Dimeric species have been obtained by decreasing the number of ligands at the lower rim from four to two and by using a metal precursor capable of exchanging four ligands simultaneously.

  DOI：

  10.1002/1099-0690(200106)2001:12<2311::aid-ejoc2311>3.0.co;2-#