2-Propyl-pentanoic acid 3,6,8-tris-(2-propyl-pentanoyloxy)-pyren-1-yl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 2-Propyl-pentanoic acid 3,6,8-tris-(2-propyl-pentanoyloxy)-pyren-1-yl ester
• 英文别名: [3,6,8-Tris(2-propylpentanoyloxy)pyren-1-yl] 2-propylpentanoate；[3,6,8-tris(2-propylpentanoyloxy)pyren-1-yl] 2-propylpentanoate
• 化学式: C₄₈H₆₆O₈
• 分子量: 771.047
• InChiKey: BERJZHAHEYIYBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.4
• 重原子数：
  56
• 可旋转键数：
  28
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1,3,6,8-四氯芘 在 4-二甲氨基吡啶 、 硫酸 、 三氧化硫 、 锌 作用下， 以 四氢呋喃 、 吡啶 为溶剂， 生成 2-Propyl-pentanoic acid 3,6,8-tris-(2-propyl-pentanoyloxy)-pyren-1-yl ester
  参考文献：
  名称：

  Induction and Control of Columnar Mesophase by Charge Transfer Interaction and Side Chain Structures of Tetrasubstituted Pyrenes

  摘要：

  The induction of the columnar phase is described in which intrinsically crystalline 1,4,6,9-tetraacyloxypyrenes have been mixed with tetranitrofluorenone, TeNF, as an electron acceptor. The pyrene derivative with linear nonyl chains, PC9, has not shown any mesophases using trinitrofluorenone, suggesting that stronger charge transfer interaction is favored by TeNF. The shape of the substituents works to control the mesophase type: the mixture of PC9 and TeNF has formed a rectangular columnar phase, and a hexagonal columnar phase is attained by rounder derivatives bearing branched side chains.

  DOI：

  10.1080/154214090960081

文献信息

• Induction and Control of Columnar Mesophase by Charge Transfer Interaction and Side Chain Structures of Tetrasubstituted Pyrenes
  作者：Takuji Hirose、Osamu Kawakami、Mikio Yasutake

  DOI：10.1080/154214090960081

  日期：2006.8.1

  The induction of the columnar phase is described in which intrinsically crystalline 1,4,6,9-tetraacyloxypyrenes have been mixed with tetranitrofluorenone, TeNF, as an electron acceptor. The pyrene derivative with linear nonyl chains, PC9, has not shown any mesophases using trinitrofluorenone, suggesting that stronger charge transfer interaction is favored by TeNF. The shape of the substituents works to control the mesophase type: the mixture of PC9 and TeNF has formed a rectangular columnar phase, and a hexagonal columnar phase is attained by rounder derivatives bearing branched side chains.