(3,5-Ditert-butylphenyl)methyl-(3-hydroxypropyl)azanium;hexafluorophosphate | 497080-07-6

• 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: (3,5-Ditert-butylphenyl)methyl-(3-hydroxypropyl)azanium;hexafluorophosphate
• CAS: 497080-07-6
• 化学式: C₁₈H₃₂NO*F₆P
• 分子量: 423.422
• InChiKey: FUEUUAPXWUDKBX-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  6.11
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  36.8
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2,5,8,11,18,21,24,27-Octaoxa-tricyclo[26.4.0.0^12,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene-14-carboxylic acid (4-methyl-1,1-dioxo-2,5-dihydro-1H-1λ⁶-thiophen-3-ylmethyl)-amide 、 、 (3,5-Ditert-butylphenyl)methyl-(3-hydroxypropyl)azanium;hexafluorophosphate 、 水 在 二月桂酸二丁基锡 作用下， 以 氯仿 为溶剂， 以49%的产率得到
  参考文献：
  名称：

  Prolongation of the Lifetime of the Charge-Separated State at Low Temperatures in a Photoinduced Electron-Transfer System of [60]Fullerene and Ferrocene Moieties Tethered by Rotaxane Structures

  摘要：

  A rotaxane tethering both fullerene (C-60) and ferrocene (Fc) moieties (abbreviated as (C-60;Fc)(rotax+)) was synthesized in a good yield by the urethane end-capping of pseudorotaxane based on the crown ether-secondary amine motif. In (C-60;Fc)(rotax+), the C-60 group serving as an electron acceptor is attached to the crown ether wheel, through which the axle with a Fc group acting as an electron donor on its end penetrates. The intrarotaxane photoinduced energy-transfer and electron-transfer processes between C-60 and Fc in (C-60;Fc)(rotax+) have been investigated by time-resolved transient absorption and fluorescence measurements with changing solvent polarity. Nanosecond transient absorption measurements of the rotaxane demonstrated that the charge-separated state (C60(center dot-);Fc(center dot+))(rotax+) is formed mainly via the excited triplet state of C-60 in polar solvents. The lifetime of (C60(center dot-);Fc(center dot+))(rotax+) was evaluated to be 20 ns in dimethylfortnamide (DMF) at room temperature. With lowing temperature, the lifetime of (C-60(center dot-);Fc(center dot+))(rotax+) extends to 270 ns in DMF at -65 degrees C, due to the structural changes leaving C-60(center dot-) and Fc(center dot+) at a relatively long distance in the low-temperature region.

  DOI：

  10.1021/jp056699i

文献信息

• Prolongation of the Lifetime of the Charge-Separated State at Low Temperatures in a Photoinduced Electron-Transfer System of [60]Fullerene and Ferrocene Moieties Tethered by Rotaxane Structures
  作者：G. Abraham Rajkumar、Atula S. D. Sandanayaka、Kei-ichiro Ikeshita、Yasuyuki Araki、Yoshio Furusho、Toshikazu Takata、Osamu Ito

  DOI：10.1021/jp056699i

  日期：2006.4.1

  A rotaxane tethering both fullerene (C-60) and ferrocene (Fc) moieties (abbreviated as (C-60;Fc)(rotax+)) was synthesized in a good yield by the urethane end-capping of pseudorotaxane based on the crown ether-secondary amine motif. In (C-60;Fc)(rotax+), the C-60 group serving as an electron acceptor is attached to the crown ether wheel, through which the axle with a Fc group acting as an electron donor on its end penetrates. The intrarotaxane photoinduced energy-transfer and electron-transfer processes between C-60 and Fc in (C-60;Fc)(rotax+) have been investigated by time-resolved transient absorption and fluorescence measurements with changing solvent polarity. Nanosecond transient absorption measurements of the rotaxane demonstrated that the charge-separated state (C60(center dot-);Fc(center dot+))(rotax+) is formed mainly via the excited triplet state of C-60 in polar solvents. The lifetime of (C60(center dot-);Fc(center dot+))(rotax+) was evaluated to be 20 ns in dimethylfortnamide (DMF) at room temperature. With lowing temperature, the lifetime of (C-60(center dot-);Fc(center dot+))(rotax+) extends to 270 ns in DMF at -65 degrees C, due to the structural changes leaving C-60(center dot-) and Fc(center dot+) at a relatively long distance in the low-temperature region.