4,4'-dimethoxy-2,2'-(2-pyridin-2-ylmethyl-2-aza-propane-1,3-diyl)-bis-phenol | 96261-20-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4,4'-dimethoxy-2,2'-(2-pyridin-2-ylmethyl-2-aza-propane-1,3-diyl)-bis-phenol
• 英文别名: (Pyridyl-2-methyl)-bis-(2-hydroxy-5-methoxy-benzyl)-amin
• CAS: 96261-20-0
• 化学式: C₂₂H₂₄N₂O₄
• 分子量: 380.444
• InChiKey: RVBUFGSXOBSXQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.71
• 重原子数：
  28.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  75.05
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  terbium(III) nitrate hexahydrate 、 N,N-二甲基甲酰胺 、 4,4'-dimethoxy-2,2'-(2-pyridin-2-ylmethyl-2-aza-propane-1,3-diyl)-bis-phenol 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  通过调整取代的吡啶氨基-4-R-苯氧基三脚架配体的三重态能级，增强以b（III）为中心的发光。

  摘要：

  一系列具有三脚架配体，2,2'-[[（（2-吡啶基甲基）亚氨基]二（亚甲基）]-双（4-R-苯酚）的发光苯氧桥双核TbIII配合物，其中R = CH3（LCH3）制备了（I），Cl（LCl）（II），CH3O（LCH3O）（III），COOCH3（LCOOCH3）（IV），以研究对位取代对配体苯酚环的TbIII发光的影响。对于这些TbIII配合物，观察到对配体中心荧光的完全抑制，这表明了有效的配体到金属的能量转移。发现复合物IV是在室温下显示出更大的发射强度的复合物。获得的量子产率遵循IV> II→I> III的趋势。II和IV的量子产率大约是I和III的量子产率的五倍，表明LC1和LCOOCH3是TbIII离子的更好的敏化剂。由于取代基的电子受体或电子给体性质，这些结果根据配体的三重态能级（T1）和TbIII的发射5D4能级之间的能隙变化而合理化。所有研究的配合物的τav值都在毫秒范围内

  DOI：

  10.1021/acs.inorgchem.0c00023
• 作为产物：
  描述：

  2-氨甲基吡啶 、 聚合甲醛 、 4-甲氧基苯酚 以 甲醇 为溶剂， 反应 96.0h， 生成 4,4'-dimethoxy-2,2'-(2-pyridin-2-ylmethyl-2-aza-propane-1,3-diyl)-bis-phenol
  参考文献：
  名称：

  Tuning White Light Emission in Dinuclear Phenoxo Bridged Dy^III Complexes

  摘要：

  A new series of dinuclear dysprosium(III) complexes, [Dy₂(L^CH₃)₂(NO₃)₂(MeOH)₂] (I), [Dy₂(L^CH₃)₂(NO₃)₂(DMF)₂]·2DMF (II), [Dy₂(L^Cl)₂(NO₃)₂(DMF)₂]·2DMF (III), and [Dy₂(L^CH₃O)₂(NO₃)₂(DMF)₂] (IV), with 2,2'-[[(2-pyridinylmethyl)imino]di(methylene)]bis(4-R-phenol), where R = CH₃, Cl, and CH₃O, were investigated as potential white light emitters. All octacoordinated dysprosium(III) are phenoxo-bridged species and have a similar coordination environment. Nevertheless, I has a MeOH ligand molecule, while for II-IV a DMF ligand replaces that of MeOH. The nature of the coordinated solvent molecule plays an important role in the behavior of the thermal dependence of the Y/B (yellow/blue) emission ratio of the Dy^III complexes (Y: ⁴F_9/2 → ⁶H_13/2, yellow and B: ⁴F_9/2 → ⁶H_15/2, blue transitions),, since for I the variation of this ratio is significant, while for the other Dy^III complexes with DMF as ligand the ratio remains constant within experimental error. At room temperature the CIE (Commission International d'Eclairage) color coordinates for the Dy^III complexes, I (0.286, 0.317), III (0.302, 0.324), and IV (0.322, 0.348) are close to the NTSC (National Television System(s) Committee) standard value for white color. Varying the temperature from 16 to 300 K the CIE coordinates for I change from the blueish to white region of the chromaticity diagram, while those of II present an inverse thermal dependence as compared to I. The CCT (Correlated Color Temperature) values at room temperature for I (8384 K), II (17235 K), and IV (5948 K) permit us to consider these complexes as candidates for white cold light emitters, the high value of II being uncommon. For I and II the CCT values vary strongly with temperature, showing a decrease with increasing temperature for I, and an increase with increasing temperature for II, thus making evident the influence on the photophysical properties of the nature of the coordinated solvent molecule in these complexes.

  DOI：

  10.1021/acs.inorgchem.9b01153