N,N-dibutyl-4-[2-[5-[2-[4-(dibutylamino)-2-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]pyridin-3-yl]ethynyl]-3-[2-tri(propan-2-yl)silylethynyl]aniline | 951305-27-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: N,N-dibutyl-4-[2-[5-[2-[4-(dibutylamino)-2-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]pyridin-3-yl]ethynyl]-3-[2-tri(propan-2-yl)silylethynyl]aniline
• CAS: 951305-27-4
• 化学式: C₅₉H₈₇N₃Si₂
• 分子量: 894.531
• InChiKey: POWKBLPIIGMMQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.83
• 重原子数：
  64
• 可旋转键数：
  28
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  19.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N,N-dibutyl-4-[2-[5-[2-[4-(dibutylamino)-2-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]pyridin-3-yl]ethynyl]-3-[2-tri(propan-2-yl)silylethynyl]aniline 在 吡啶 、 copper(l) iodide 、 copper diacetate 、 四丁基氟化铵 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 为溶剂， 反应 58.0h， 生成 7-N,7-N,16-N,16-N-tetrabutyl-24-azatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),4(9),5,7,14(19),15,17,22,24-nonaen-2,10,12,20-tetrayne-7,16-diamine
  参考文献：
  名称：

  Dynamic Proton-Induced Emission Switching in Donor-Functionalized Dehydrobenzopyrid[15]annulenes

  摘要：

  An isomeric pair of 15-membered dehydrobenzopyridannulenes functionalized with -NBu2 groups as pi-electron donors was prepared and their steady-state spectroscopic parameters investigated. The property differences arising from placement of the pyridine nitrogen relative to the macrocycle, as well as the differential effects of stepwise protonation of the acceptor and donor nitrogens, were examined. The macrocycles exhibited dynamic shifting in the emission spectra, which is believed to correlate to induced changes in the frontier molecular orbitals of the molecules.

  DOI：

  10.1021/jo070827c
• 作为产物：
  描述：

  3,5-二溴吡啶 、 N,N-dibutyl-3-[(triisopropylsilyl)ethynyl]-4-[(trimethylsilyl)ethynyl]aniline 在 四(三苯基膦)钯 氢氧化钾 、 二异丙胺 、 copper(l) iodide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 18.5h， 以54%的产率得到N,N-dibutyl-4-[2-[5-[2-[4-(dibutylamino)-2-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]pyridin-3-yl]ethynyl]-3-[2-tri(propan-2-yl)silylethynyl]aniline
  参考文献：
  名称：

  Dynamic Proton-Induced Emission Switching in Donor-Functionalized Dehydrobenzopyrid[15]annulenes

  摘要：

  An isomeric pair of 15-membered dehydrobenzopyridannulenes functionalized with -NBu2 groups as pi-electron donors was prepared and their steady-state spectroscopic parameters investigated. The property differences arising from placement of the pyridine nitrogen relative to the macrocycle, as well as the differential effects of stepwise protonation of the acceptor and donor nitrogens, were examined. The macrocycles exhibited dynamic shifting in the emission spectra, which is believed to correlate to induced changes in the frontier molecular orbitals of the molecules.

  DOI：

  10.1021/jo070827c

文献信息

• Dynamic Proton-Induced Emission Switching in Donor-Functionalized Dehydrobenzopyrid[15]annulenes
  作者：Eric L. Spitler、Sean P. McClintock、Michael M. Haley

  DOI：10.1021/jo070827c

  日期：2007.8.31

  An isomeric pair of 15-membered dehydrobenzopyridannulenes functionalized with -NBu2 groups as pi-electron donors was prepared and their steady-state spectroscopic parameters investigated. The property differences arising from placement of the pyridine nitrogen relative to the macrocycle, as well as the differential effects of stepwise protonation of the acceptor and donor nitrogens, were examined. The macrocycles exhibited dynamic shifting in the emission spectra, which is believed to correlate to induced changes in the frontier molecular orbitals of the molecules.