5,19-Ditert-butyltridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3(8),4,6,9(14),10,12,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene | 1422465-80-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 5,19-Ditert-butyltridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3(8),4,6,9(14),10,12,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene
• 英文别名: 5,19-ditert-butyltridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3(8),4,6,9(14),10,12,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene
• CAS: 1422465-80-2
• 化学式: C₅₀H₃₄
• 分子量: 634.82
• InChiKey: KJWFYMJDUDMSLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.4
• 重原子数：
  50
• 可旋转键数：
  2
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  1,3,5-tris(4-tert-butylbiphenyl-2-yl)benzene 在 iron(III) chloride 作用下， 以 硝基甲烷 、 二氯甲烷 为溶剂， 反应 1.0h， 以72%的产率得到5,19,33-Tritert-butyltridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
  参考文献：
  名称：

  Twisted Polycyclic Arenes by Intramolecular Scholl Reactions of C3-Symmetric Precursors

  摘要：

  With the aim of opening an efficient access to large and sterically crowded polycyclic arenes as well as improving insight into the geometrical preferences of the Scholl reaction, a versatile synthesis strategy has been developed to form a family of flexible yet strongly crowded substrates for multiple dehydrocyclizations. Their intramolecular Scholl reactions lead with high selectivity either to considerably twisted species where the initial C3 symmetry is maintained, or to strongly rearranged products where the formation of multiple [6]helicene fragments is avoided by the formation of unusual hexa[7]circulene moieties under loss of the C3 symmetry.

  DOI：

  10.1021/jo3027752

文献信息

• Twisted Polycyclic Arenes by Intramolecular Scholl Reactions of C3-Symmetric Precursors
  作者：Anirban Pradhan、Pierre Dechambenoit、Harald Bock、Fabien Durola

  DOI：10.1021/jo3027752

  日期：2013.3.15

  With the aim of opening an efficient access to large and sterically crowded polycyclic arenes as well as improving insight into the geometrical preferences of the Scholl reaction, a versatile synthesis strategy has been developed to form a family of flexible yet strongly crowded substrates for multiple dehydrocyclizations. Their intramolecular Scholl reactions lead with high selectivity either to considerably twisted species where the initial C3 symmetry is maintained, or to strongly rearranged products where the formation of multiple [6]helicene fragments is avoided by the formation of unusual hexa[7]circulene moieties under loss of the C3 symmetry.