N,N-dimethyl-4-(4,5-dimethyl-2-phenyl-1H-imidazol-1-yl)benzenamine | 1346619-64-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N,N-dimethyl-4-(4,5-dimethyl-2-phenyl-1H-imidazol-1-yl)benzenamine
• 英文别名: 4-(4,5-dimethyl-2-phenylimidazol-1-yl)-N,N-dimethylaniline
• CAS: 1346619-64-4
• 化学式: C₁₉H₂₁N₃
• 分子量: 291.396
• InChiKey: BYNLXTKXBQEUQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  21.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  苯甲醛 、 N,N-二甲基-对苯二胺 、 2,3-丁二酮 在 ammonium acetate 作用下， 以 乙醇 为溶剂， 以47%的产率得到N,N-dimethyl-4-(4,5-dimethyl-2-phenyl-1H-imidazol-1-yl)benzenamine
  参考文献：
  名称：

  一些咪唑衍生物的荧光光谱研究。

  摘要：

  咪唑衍生物的光物理性质为2-（2,4-二氟苯基）-4,5-二甲基-1-对甲苯基-1H-咪唑和N，N-二甲基-4-（4,5-二甲基-2-在几种溶剂中研究了由不寻常的四种组分组装而成的苯基-1H-咪唑-1-基）苯甲胺。极化在激发态偶极矩（μ（e））的增加中也起着重要作用。根据光谱结果，发现在非质子传递溶剂和质子传递溶剂中，中性物质与单阳离子（MC）物质之间存在平衡。溶剂的碱度C（β）或C（SB）具有负值，表明随着溶剂给电子能力的增强，吸收带和荧光带移向较低的能量。所以，

  DOI：

  10.1016/j.saa.2012.01.030

文献信息

• Physicochemical studies of bioactive heterocycles of some novel imidazole derivatives as sensitive NLO materials
  作者：Jayaraman Jayabharathi、Venugopal Thanikachalam、Natesan Srinivasan、Karunamoorthy Jayamoorthy

  DOI：10.1016/j.saa.2011.08.039

  日期：2011.12

  Some novel imidazole derivatives were developed as highly sensitive chemisensors for transition metal ions. A prominent fluorescence enhancement was found in the presence of transition metal ions such as Hg2+, Pb2+,Cu2+, Zn2+, Co2+ and Fe2+ and this was suggested to result from the suppression of radiationless transitions from the n-pi* state in the chemisensors. By OFT calculation HOMO LUMO energies were calculated, the electric dipole moment (mu) and the hyperpolarizability (beta) of the investigated molecules have been studied experimentally and also theoretically. These synthesized molecules were found to have microscopic non-linear optical (NLO) behaviour with non-zero tensor components. (C) 2011 Elsevier B.V. All rights reserved.
• Luminescent study on the binding interaction of bioactive imidazole with bovine serum albumin—A static quenching mechanism
  作者：Jayaraman Jayabharathi、Venugopal Thanikachalam、Natesan Srinivasan、Marimuthu Venkatesh Perumal

  DOI：10.1016/j.saa.2011.09.033

  日期：2011.12

  Novel bioactive imidazole derivatives were synthesized and characterized by NMR spectra, mass and CHN analysis. The interaction between the imidazole derivative and bovine serum albumin (BSA) was investigated by fluorescence and UV-vis absorption spectroscopy. The fluorescence quenching of BSA by the imidazole derivatives may be due to the formation of imidazole-BSA complex. The fluorescence quenching mechanism of BSA by irnidazole was analyzed and the binding constant has been calculated. The binding distance between imidazole and BSA was obtained based on Forester's non-radiation energy transfer (FRET). The effect of some common ions on the binding constant between imidazole and BSA was also examined. (C) 2011 Elsevier B.V. All rights reserved.