N,N,N-trimethyl-3-(1-pyrenyl)-1-propylammonium bromide | 105763-23-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: N,N,N-trimethyl-3-(1-pyrenyl)-1-propylammonium bromide
• 英文别名: N,N,N-Trimethyl-3-(pyren-1-yl)propan-1-aminium bromide；trimethyl(3-pyren-1-ylpropyl)azanium;bromide
• CAS: 105763-23-3
• 化学式: Br*C₂₂H₂₄N
• 分子量: 382.343
• InChiKey: OJMOMBDPGLUBBG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.23
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N,N,N-trimethyl-3-(1-pyrenyl)-1-propylammonium bromide 在 高氯酸 、 hydroxide 作用下， 生成 N,N,N-trimethyl-3-(1-pyrenyl)-1-propylammonium perchlorate
  参考文献：
  名称：

  Global tricompartmental analysis of the fluorescence decay surface of the charged fluorescent probe N,N,N-trimethyl-3-(1-pyrenyl)-1-propanaminium prchlorate

  摘要：

  The kinetics of the excited-state processes of the charged fluorescent probe N,N,N-trimethyl-3-(1-pyrenyl)-1-propanaminium perchlorate (PROBE) in tetrahydrofuran are reported. At very low concentrations PROBE decays monoexponentially with a lifetime tau of 236 +/- 1 ns, from which k(01) = 1/tau = 4.2 x 10(6) s(-1) is obtained. Upon addition of the quaternary ammonium salt N,N,N-trimethyl-1-dodecanaminium perchlorate a biexponential decay function is needed to describe the decay traces. The second excited state is the aggregated PROBE. This aggregation is due to dipole-dipole or ion-dipole interactions. The rate constant values of the kinetic Scheme (Scheme 4) are obtained by global bicompartmental analysis: k(01) = k(02), k(21) = (42 +/- 7) x 10(9) M(-1) s(-1); k(12) = (5.7 +/- 0.1) x 10(7) s(-1). When the concentration of PROBE itself is varied, a triple-exponential decay function adequately describes the decay surface. The third excited-stale species is a PROBE excimer, which can be formed through two different pathways: either intermolecularly when a locally excited PROBE molecule encounters a ground-state PROBE molecule or intramolecularly when an aggregate of two PROBE molecules rearranges. To resolve the kinetics of this system, global tricompamnental analysis is developed. Even after including the information available from experiments where N,N,N-trimethyl-1-dodecanaminium perchlorate is added (k(01) = k(02)), and the information available from the global triple-exponential analysis (k(13) = 0 and k(23) = 0) (Scheme 5), the experimental time-resolved data do not allow one to obtain a unique solution for the rate constant values, By scanning the rate constant k31, bounds can be specified for the rate constants: 53 x 10(9) < k(21) < 60 x 10(9) M(-1) s(-1), k(31) < 7 x 10(9) M(-1) s(-1), 1.5 x 10(8) < k(12) < 1.7 x 10(8) s(-1) and k(32) < 2 X 10(7) s(-1). Unique values are obtained for k(01), k(02), and k(O3): k(01) = k(02) = (4.25 +/- 0.01) x 10(7) s(-1); k(03) = (1.92 +/- 0.03) x 10(7) s(-1).

  DOI：

  10.1021/j100102a024
• 作为产物：
  描述：

  1-芘甲醛 在 palladium on activated charcoal 氢气 、 三溴化磷 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 甲苯 为溶剂， 生成 N,N,N-trimethyl-3-(1-pyrenyl)-1-propylammonium bromide
  参考文献：
  名称：

  Global tricompartmental analysis of the fluorescence decay surface of the charged fluorescent probe N,N,N-trimethyl-3-(1-pyrenyl)-1-propanaminium prchlorate

  摘要：

  The kinetics of the excited-state processes of the charged fluorescent probe N,N,N-trimethyl-3-(1-pyrenyl)-1-propanaminium perchlorate (PROBE) in tetrahydrofuran are reported. At very low concentrations PROBE decays monoexponentially with a lifetime tau of 236 +/- 1 ns, from which k(01) = 1/tau = 4.2 x 10(6) s(-1) is obtained. Upon addition of the quaternary ammonium salt N,N,N-trimethyl-1-dodecanaminium perchlorate a biexponential decay function is needed to describe the decay traces. The second excited state is the aggregated PROBE. This aggregation is due to dipole-dipole or ion-dipole interactions. The rate constant values of the kinetic Scheme (Scheme 4) are obtained by global bicompartmental analysis: k(01) = k(02), k(21) = (42 +/- 7) x 10(9) M(-1) s(-1); k(12) = (5.7 +/- 0.1) x 10(7) s(-1). When the concentration of PROBE itself is varied, a triple-exponential decay function adequately describes the decay surface. The third excited-stale species is a PROBE excimer, which can be formed through two different pathways: either intermolecularly when a locally excited PROBE molecule encounters a ground-state PROBE molecule or intramolecularly when an aggregate of two PROBE molecules rearranges. To resolve the kinetics of this system, global tricompamnental analysis is developed. Even after including the information available from experiments where N,N,N-trimethyl-1-dodecanaminium perchlorate is added (k(01) = k(02)), and the information available from the global triple-exponential analysis (k(13) = 0 and k(23) = 0) (Scheme 5), the experimental time-resolved data do not allow one to obtain a unique solution for the rate constant values, By scanning the rate constant k31, bounds can be specified for the rate constants: 53 x 10(9) < k(21) < 60 x 10(9) M(-1) s(-1), k(31) < 7 x 10(9) M(-1) s(-1), 1.5 x 10(8) < k(12) < 1.7 x 10(8) s(-1) and k(32) < 2 X 10(7) s(-1). Unique values are obtained for k(01), k(02), and k(O3): k(01) = k(02) = (4.25 +/- 0.01) x 10(7) s(-1); k(03) = (1.92 +/- 0.03) x 10(7) s(-1).

  DOI：

  10.1021/j100102a024