25,27-bis[(N-(1-pyrenylmethyl)aminocarbonyl)methoxy]-26,28-dipropyloxycalix[4]arene lead(II) complex (1/1) | 832696-61-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 25,27-bis[(N-(1-pyrenylmethyl)aminocarbonyl)methoxy]-26,28-dipropyloxycalix[4]arene lead(II) complex (1/1)
• 英文别名: 25,27-bis[(N-(1-pyrenylmethyl)aminocarbonyl)methoxy]-26,28-dipropyloxycalix[4]arene*Pb(2+)
• CAS: 832696-61-4
• 化学式: C₇₂H₆₂N₂O₆*Pb
• 分子量: 1258.49
• InChiKey: WPUOQVJKOSDIJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.75
• 重原子数：
  81.0
• 可旋转键数：
  16.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  95.12
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  lead(II) perchlorate 、 25,27-bis[(N-(1-pyrenylmethyl)aminocarbonyl)methoxy]-26,28-dipropyloxycalix[4]arene 以 乙腈 为溶剂， 生成 25,27-bis[(N-(1-pyrenylmethyl)aminocarbonyl)methoxy]-26,28-dipropyloxycalix[4]arene lead(II) complex (1/1)
  参考文献：
  名称：

  基于准分子的、双核、开-关可切换的杯[4]冠化学传感器

  摘要：

  合成了一种新型荧光化学传感器，在 1,3-交替杯 [4] 芳烃 (1) 的下边缘具有两种不同类型的阳离子结合位点。连接到由两个酰胺基团组成的阳离子识别单元的两个芘部分在溶液中形成强准分子。对于 1，准分子荧光被 Pb2+ 淬灭，但通过将 K+ 添加到 Pb2+ 配体复合物而恢复。因此，金属离子交换产生开关可切换的荧光化学传感器。计算结果表明，两个芘部分的最高占据分子轨道（HOMO）和最低未占据分子轨道（LUMO）在 1 及其 K+ 配合物的紫外线照射下相互作用，而这种 HOMO-LUMO 相互作用在 Pb2+ 配合物中不存在。

  DOI：

  10.1021/ja045689c

文献信息

• Indium(III)-Induced Fluorescent Excimer Formation and Extinction in Calix[4]arene−Fluoroionophores
  作者：Sung Kuk Kim、Su Ho Kim、Hyun Jung Kim、Seoung Ho Lee、Soon W. Lee、Jaejung Ko、Richard A. Bartsch、Jong Seung Kim

  DOI：10.1021/ic050702v

  日期：2005.10.1

  New fluorogenic or/and chromogenic calix[4]arenes 1-3 with two facing amide groups linked to fluorescent pyrene units are synthesized. Orientations of the pyrene units are remote from each other in 1 and face-to-face pi-stacked in 2, which produces different photophysical properties. In the excited state, the two pyrene units of 2 form a strong intramolecular excimer displaying an emission at 472 nm with a relatively weak monomer emission at 395 nm. In contrast, 1 exhibits only a monomer emission at 398 nm because intramolecular hydrogen bonding between the phenolic OH oxygens and the amide hydrogens prevents :T-stacking of the two pyrene groups. Fluorescence changes upon addition of various metal ions show that 1 has a remarkably high selectivity for In 3, over the other metal ions tested. Compound 1 forms 2:1 (metal:ligand), as well as 1:1 complexes, with In3+, with fluorescence varying uniquely with the complex stoichiometry. Compound 3, which possess two pyrene units and two chromogenic azo groups, shows almost the same binding behavior toward metal ions as does 1, together with additional bathochromic shifts of the absorption maximum. Compared with 1, compound 3 emits a considerably weaker fluorescence, which is attributed to electron transfer from the pyrene units to the nitro groups of the phenylazo moieties.