17,28,28,39-Tetrakis(2-ethylhexyl)-3,10,17,24,32,39-hexazatridecacyclo[35.6.2.212,15.02,32.04,31.06,29.07,27.09,25.011,24.013,22.014,19.034,44.041,45]heptatetraconta-1(44),2,4(31),5,7,9(25),10,12,14,19,21,26,29,34,36,41(45),42,46-octadecaene-16,18,23,33,38,40-hexone | 1035444-13-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 17,28,28,39-Tetrakis(2-ethylhexyl)-3,10,17,24,32,39-hexazatridecacyclo[35.6.2.212,15.02,32.04,31.06,29.07,27.09,25.011,24.013,22.014,19.034,44.041,45]heptatetraconta-1(44),2,4(31),5,7,9(25),10,12,14,19,21,26,29,34,36,41(45),42,46-octadecaene-16,18,23,33,38,40-hexone
• CAS: 1035444-13-3
• 化学式: C₇₃H₈₀N₆O₆
• 分子量: 1137.47
• InChiKey: PKPRTSJTDNIHJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.7
• 重原子数：
  85
• 可旋转键数：
  24
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  145
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-(2-ethylhexyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]-isoquinoline-6,7-dicarboxylic acid 、 2,3,6,7-tetraamino-9,9-bis(2-ethylhexyl)fluorene tetrahydrochloride 在 溶剂黄146 作用下， 反应 4.0h， 以31%的产率得到17,28,28,39-Tetrakis(2-ethylhexyl)-3,10,17,24,32,39-hexazatridecacyclo[35.6.2.212,15.02,32.04,31.06,29.07,27.09,25.010,23.013,22.014,19.034,44.041,45]heptatetraconta-1(44),2,4(31),5,7,9(25),12(47),13(22),14(19),15(46),20,23,26,29,34,36,41(45),42-octadecaene-11,16,18,33,38,40-hexone
  参考文献：
  名称：

  2,3,6,7-Tetraamino-9,9-bis(2-ethylhexyl)fluorene: New Multifunctional Monomer for Soluble Ladder-Conjugated Molecules and Polymers

  摘要：

  2,3,6,7-Tetraamino-9,9-bis(2-ethylhexyl)fluorene (TABEF), as a new multifunctional monomer for ladder-type conjugated molecules and polymers, was efficiently synthesized via a six-step procedure with an overall yield of 30%. Two isomeric ladder compounds based on TABEF building blocks were also synthesized and preliminarily studied.

  DOI：

  10.1021/ol801081w