3-[(3,4,5-trimethoxyphenyl)methyl]-4H-quinazoline | 1432019-00-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3-[(3,4,5-trimethoxyphenyl)methyl]-4H-quinazoline
• CAS: 1432019-00-5
• 化学式: C₁₈H₂₀N₂O₃
• 分子量: 312.368
• InChiKey: QZXCIZLWYPKSDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  43.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 3-[(3,4,5-trimethoxyphenyl)methyl]-4H-quinazoline 以 甲苯 为溶剂， 反应 4.0h， 以77%的产率得到
  参考文献：
  名称：

  Ru(II)–arene complexes with N-substituted 3,4-dihydroquinazoline ligands and catalytic activity for transfer hydrogenation reaction

  摘要：

  In this study, N-coordinated 3,4-dihydroquinazoline ruthenium(II) complexes were synthesized by the cleavage reaction of [RuCl2(p-cymene)](2) wit h N-substituted 3,4-dihydroquinazolines. In addition, the X-ray crystal structure of 2,4,6-trimethylbenzyl substituted 3,4-dihydroquinazoline Ru(II) complex (1a) is reported. Furthermore, the resulting piano-stool complexes were evaluated as transfer hydrogenation catalysts for reduction of acetophenone in the presence of 2-propanol and KOH at 82 degrees C. All the complexes showed good to excellent performance after 1 h in the conversion of acetophenone to alcohol and the reaction rate was found to be sensitive to changes on the N-substituent. Additionally, the most active catalyst 1a was used in trans fer hydrogenation of different ketones to investigate the effect of substituents on ketones. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.02.005
• 作为产物：
  描述：

  2-氨基苄胺 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 30.0h， 生成 3-[(3,4,5-trimethoxyphenyl)methyl]-4H-quinazoline
  参考文献：
  名称：

  Ru(II)–arene complexes with N-substituted 3,4-dihydroquinazoline ligands and catalytic activity for transfer hydrogenation reaction

  摘要：

  In this study, N-coordinated 3,4-dihydroquinazoline ruthenium(II) complexes were synthesized by the cleavage reaction of [RuCl2(p-cymene)](2) wit h N-substituted 3,4-dihydroquinazolines. In addition, the X-ray crystal structure of 2,4,6-trimethylbenzyl substituted 3,4-dihydroquinazoline Ru(II) complex (1a) is reported. Furthermore, the resulting piano-stool complexes were evaluated as transfer hydrogenation catalysts for reduction of acetophenone in the presence of 2-propanol and KOH at 82 degrees C. All the complexes showed good to excellent performance after 1 h in the conversion of acetophenone to alcohol and the reaction rate was found to be sensitive to changes on the N-substituent. Additionally, the most active catalyst 1a was used in trans fer hydrogenation of different ketones to investigate the effect of substituents on ketones. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.02.005