6,11,20,25,34,39-Hexa(butan-2-yl)tridecacyclo[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-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene | 1049687-88-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 6,11,20,25,34,39-Hexa(butan-2-yl)tridecacyclo[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-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene
• CAS: 1049687-88-8
• 化学式: C₆₆H₆₆
• 分子量: 859.25
• InChiKey: RIAOIAFZTFDGFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22
• 重原子数：
  66
• 可旋转键数：
  12
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.36
• 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：

  hexakis(4-isobutylphenyl)benzene 在 三氯化铁 作用下， 以 硝基甲烷 、 二氯甲烷 为溶剂， 反应 1.0h， 以93%的产率得到6,11,20,25,34,39-Hexa(butan-2-yl)tridecacyclo[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-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene
  参考文献：
  名称：

  Synthesis and electronic properties of iso-alkyl substituted hexa-peri-hexabenzocoronenes (HBC’s) from a versatile new HBC synthon, hexakis(4-acetylphenyl)benzene

  摘要：

  Simple syntheses of a variety of soluble hexa-peri-hexabenzocoronenes are accomplished using an easily prepared hexakis(4-acetylphenyl)benzene as a common precursor. The concentration-dependent emissions of various HBCs in solution indicate that they undergo extensive aggregation despite the presence of bulky (peripheral) isoalkyl and tert-butyl groups. The various planar HBC's undergo reversible electrochemical oxidations and form stable monomeric cation-radical salts in solution. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.06.005

文献信息

• Oxidative C−C Bond Formation (Scholl Reaction) with DDQ as an Efficient and Easily Recyclable Oxidant
  作者：Linyi Zhai、Ruchi Shukla、Rajendra Rathore

  DOI：10.1021/ol901331p

  日期：2009.8.6

  DDQ in the presence of an acid is known to oxidize a variety of aromatic donors to the corresponding cation radicals. Herein, we now demonstrate that the DDQ/H+ system can be effectively utilized for the oxidative C-C bond formations or biaryl synthesis. The efficient preparation of a variety of polyaromatic hydrocarbons including graphitic hexa-peri-hexabenzocoronenes, ease of isolation of the clean products, and ready regeneration of DDQ from easily recovered reduced DDQ-H-2 advances the use of DDQ/H+ for Scholl reactions.