8,9-bis(heptyloxy)-16-hydroxytetraphenylene-1-carbonitrile | 1263292-52-9

• 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: 8,9-bis(heptyloxy)-16-hydroxytetraphenylene-1-carbonitrile
• CAS: 1263292-52-9；1263292-51-8
• 化学式: C₃₉H₄₃NO₃
• 分子量: 573.775
• InChiKey: DCSOHOWMSFIWMW-XMHMCYGRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.94
• 重原子数：
  43.0
• 可旋转键数：
  14.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  62.48
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  8,9-bis(heptyloxy)-16-hydroxytetraphenylene-1-carbonitrile 、 1-(benzyloxy)-16-(2-bromoethoxy)-8,9-bis(heptyloxy)tetraphenylene 在 caesium carbonate 作用下， 以 丙酮 为溶剂， 以70%的产率得到16-(2-(16-(benzyloxy)-8,9-bis(heptyloxy)tetraphenylen-1-yloxy)ethoxy)-8,9-bis(heptyloxy)tetraphenylene-1-carbonitrile
  参考文献：
  名称：

  Enantioselective Brønsted base catalyzed [4+2] cycloaddition using novel amino-substituted tetraphenylene derivatives

  摘要：

  This paper is concerned with the syntheses of 1,8,9,16-tetrahydroxytetraphenylene derivatives and their applications as Brensted base organocatalysts for [4+2] cycloaddition between anthrone and maleimides. The structural modifications of the catalysts and their related catalytic properties are described and discussed in details. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.10.064
• 作为产物：
  描述：

  zinc(II) cyanide 、 8,9-bis(heptyloxy)-16-hydroxytetraphenylen-1-yl trifluoromethanesulfonate 在 四(三苯基膦)钯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以99%的产率得到8,9-bis(heptyloxy)-16-hydroxytetraphenylene-1-carbonitrile
  参考文献：
  名称：

  Enantioselective Brønsted base catalyzed [4+2] cycloaddition using novel amino-substituted tetraphenylene derivatives

  摘要：

  This paper is concerned with the syntheses of 1,8,9,16-tetrahydroxytetraphenylene derivatives and their applications as Brensted base organocatalysts for [4+2] cycloaddition between anthrone and maleimides. The structural modifications of the catalysts and their related catalytic properties are described and discussed in details. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.10.064