3-acetyl-2-methyl-4-phenylquinolin-1-ium chloride | 1290045-95-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 3-acetyl-2-methyl-4-phenylquinolin-1-ium chloride
• 英文别名: 1-(2-methyl-4-phenylquinolin-1-ium-3-yl)ethanone;chloride
• CAS: 1290045-95-2
• 化学式: C₁₈H₁₅NO*ClH
• 分子量: 297.784
• InChiKey: WJPHNCHSZRIXPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.84
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  31.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  乙酰丙酮 、 2-氨基二苯甲酮 在 盐酸 作用下， 以 水 为溶剂， 反应 0.08h， 生成 3-acetyl-2-methyl-4-phenylquinolin-1-ium chloride
  参考文献：
  名称：

  Growth, optical, luminescence, thermal and mechanical behavior of an organic single crystal: 3-Acetyl-2-methyl-4-phenylquinolin-1-ium chloride

  摘要：

  A single crystal of 3-acetyl-2-methyl-4-phenylquinolin-1-ium chloride has grown by slow evaporation solution growth technique using ethanol as solvent. The structural, thermal, optical and mechanical property has studied for the grown crystal. Single crystal XRD revealed that the crystal belongs to monoclinic system with space group P2(1)/c. The presences of Functional groups in the crystallized material have confirmed using the FTIR vibrational spectrum. The optical absorbance spectrum recorded from 190 to 1100 nm shows the cut-off wavelength occurs at 371 nm. The material shows its transparency in the entire region of the visible spectrum. The photoluminescence spectrum shows the ultraviolet and blue emission in the crystal. Thermogravimetric and differential thermal analysis reveal the thermal stability of the grown crystal. Etching study shows the grown mechanism and surface features of the crystal. Vickers microhardness studies have carried out on the (01-1) plane to understand the mechanical properties of the grown crystal. The hardness of the title compound increases on increasing the load. The Meyer's index number (n), and the stiffness constants for different loads has calculated and reported. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2013.12.041