4,4′,4″-[1,3,5-phenyltri(methoxy)]-trisbenzoic acid | 1342818-03-4

• 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: 4,4′,4″-[1,3,5-phenyltri(methoxy)]-trisbenzoic acid
• 英文别名: 4,4',4''-((benzene-1,3,5-triyltris(methylene))tris(oxy))tribenzoic acid；4,4′,4′′-[1,3,5-phenyl-tri(methoxy)]-tris-benzoic acid；4,4',4''-[benzene-1,3,5-triyl-tri(methyleneoxy)]tribenzoic acid；4,4',4''-[1,3,5-Benzenetriyltris(methyleneoxy)]trisbenzoic acid；4-[[3,5-bis[(4-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
• CAS: 1342818-03-4
• 化学式: C₃₀H₂₄O₉
• 分子量: 528.515
• InChiKey: MNUYZUSINABAST-UHFFFAOYSA-N

物化性质

• 熔点：
  270-271 °C
• 沸点：
  778.1±55.0 °C(predicted)
• 密度：
  1.386±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  39
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  140
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2,2′;6′,2″-terpyridin-4′-yl-propane-1,3-diamine 、 4,4′,4″-[1,3,5-phenyltri(methoxy)]-trisbenzoic acid 在 三氯异氰尿酸 、 三苯基膦 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 225.67h， 以88%的产率得到4,4′,4″-[1,3,5-phenyltri(methoxy)]-trisbenzene{[3-(2,2′;6′,2″-terpyridin-4′-ylamino)propyl]amide}
  参考文献：
  名称：

  Bimodal self-assembly of an amphiphilic gelator into a hydrogel-nanocatalyst and an organogel with different morphologies and photophysical properties

  摘要：

  依赖溶剂的柔性两性低分子凝胶（LMWG）的双峰自组装导致产生一个电荷转移水凝胶和一个具有不同纳米形态的有机凝胶，水凝胶被用作Knoevenagel缩合反应的纳米催化剂。

  DOI：

  10.1039/c6cc06971a
• 作为产物：
  描述：

  triethyl 4,4',4''-((benzene-1,3,5-triyltris(methylene))tris(oxy))tribenzoate 在 水 、 sodium hydroxide 作用下， 以 丙酮 为溶剂， 反应 24.0h， 以1.85 g的产率得到4,4′,4″-[1,3,5-phenyltri(methoxy)]-trisbenzoic acid
  参考文献：
  名称：

  A series of three isostructural 1D lanthanide coordination network based on 4,4′,4″-((benzene-1,3,5-triyltris(methylene))tris(oxy))tribenzoate ligand: Synthesis, crystal structure and photophysical properties

  摘要：

  Three 1D-coordination networks namely {[Ln(L)(DMF)(H2O)]center dot DMF}(n). represented as EuL, GdL and TbL were obtained using the synthetized 4,4',4 ''-((benzene-1,3,5-triyltris(methylene))tris(oxy))tribenzoic acid (H3L) as a ligand and lanthanide nitrate salts (Ln(NO3)(3)) (Ln = Eu-III, Gd-III or Tb-III). The reactions were carried out under solvothermal conditions using a mixture of DMF and H2O. Single crystal X-ray analyses revealed that all three compounds are isostructural crystalizing in the triclinic space group P (1) over bar. They show an interesting binodal connected one-dimensional structure, with a static crystal disorder due to the different spatial orientations of DMF molecules. The triplet state energy of the H3L ligand obtained from {[Gd(L)(DMF)(H2O)]center dot DMF}(n) lies energetically above the main emitting states of both Eu-III and Tb-III. The photophysical properties were investigated in terms of excitation, emission spectra and emission lifetime at three different temperatures. EuL and TbL exhibit characteristic emission bands of the Eu-III and Tb-III with emission lifetimes of 0.51 ms and 0.90 ms, respectively. The emission lifetime values of EuL and TbL remain practically constant in the temperature range from 77 to 300 K. Furthermore, it is mentioned a possible effect of a crystal disorder on the luminescence profile of Eu-III in EuL.

  DOI：

  10.1016/j.ica.2019.05.005

文献信息

• Multicolour lanthanide(<scp>iii</scp>) porous 1D coordination polymers: tunable wide spectrum emission and efficient Cu^II sensing
  作者：Sanchita Karmakar、Adrija Ghosh、Komal Prasad、Faruk Ahamed Rahimi、Darsi Rambabu、Ritesh Haldar、Tapas Kumar Maji

  DOI：10.1039/d1dt01860d

  日期：——

  Five isostructural 1D porous coordination polymers (PCPs) with a general formula of [M(L)(DMF)(H2O)]·1.5H2O}n [M = TbIII (1), EuIII (2), YbIII (3), NdIII (4) and ErIII (5)] have been synthesized using a flexible tripodal organic linker (L) and characterized. TbIII (1) and EuIII (2) PCPs exhibit metal-based green and red emission, respectively, whereas YbIII (3), NdIII (4) and ErIII (5) PCPs show near-infrared

  通式为 [M(L)(DMF)(H 2 O)]·1.5H 2 O} n [M = Tb III ( 1 ), Eu III ( 2 ) 的五种同构一维多孔配位聚合物 (PCP ) 、Yb III ( 3 )、Nd III ( 4 ) 和 Er III ( 5 )] 已使用灵活的三足有机接头 (L) 合成并表征。Tb III ( 1 ) 和 Eu III ( 2 ) PCPs 分别表现出金属基绿光和红光发射，而 Yb III ( 3)、Nd III ( 4 ) 和 Er III ( 5 ) PCP 显示近红外 (NIR) 发射。以精确控制的化学计量量在1中掺杂 Eu III会导致不同的混合镧系元素 PCP，[Tb 1− x Eu x (L)(DMF)(H 2 O)]·1.5H 2 O} n ( 1a–1f )显示可调发射，包括明亮的白光。用路易斯碱性 -O- 结合位点装饰的 PCP 使它们成为结合和选择性感应痕量
• A hexanuclear Cu(<scp>i</scp>) cluster supported by cuprophilic interaction: effects of aromatics on luminescence properties
  作者：Anindita Chakraborty、Krishna Kumar Ramachandran、Sharma S. R. K. C. Yamijala、Swapan K. Pati、Tapas Kumar Maji

  DOI：10.1039/c4ra06183g

  日期：——

  A hexanuclear Cu(I) cluster Cu3(L)2}2 (1) based on a novel tripodal linker (L) has been synthesized. 1 shows intense emission (λmax = 560 nm) with lifetime 〈τ〉 = 224 μs and quantum yield = 27.6%. The emission is highly sensitive towards different electron rich and electron deficient aromatics. DFT calculations were performed to understand the origin of emission and sensing properties.

  合成了基于新型三脚架连接子（L）的六核Cu（I）簇Cu 3（L）2 } 2（1）。图1示出强烈的发射（λ最大= 560纳米）与寿命< τ > = 224微秒和量子产率= 27.6％。该发射对不同的富电子和贫电子的芳族化合物高度敏感。进行DFT计算以了解发射和感测特性的起源。
• Foerster, Sebastian; Seichter, Wilhelm; Weber, Edwin, Zeitschrift fur Naturforschung, B: Chemical Sciences, 2011, vol. 66, # 9, p. 939 - 946
  作者：Foerster, Sebastian、Seichter, Wilhelm、Weber, Edwin

  DOI：——

  日期：——