4-cyclohexyl-2,6-dimethyl-1-(4-methylphenyl)-1,2-dihydrobenzoquinazoline | 145640-51-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-cyclohexyl-2,6-dimethyl-1-(4-methylphenyl)-1,2-dihydrobenzoquinazoline
• 英文别名: 4-Cyclohexyl-1,2-dihydro-2,6-dimethyl-1-(4-methylphenyl)benzo[h]quinazoline；4-cyclohexyl-2,6-dimethyl-1-(4-methylphenyl)-2H-benzo[h]quinazoline
• CAS: 145640-51-3
• 化学式: C₂₇H₃₀N₂
• 分子量: 382.549
• InChiKey: BZUOWGAZXKFHMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  15.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-cyclohexyl-2-methyl-1-(4-methylphenyl)-6-phenyl-5-(3-propynyl)-1,2-dihydropyrimidine 在 磷酸 作用下， 反应 12.0h， 以96%的产率得到4-cyclohexyl-2,6-dimethyl-1-(4-methylphenyl)-1,2-dihydrobenzoquinazoline
  参考文献：
  名称：

  Intramolecular Friedel-Crafts cyclization of nitrogen heterocycles. An expeditious approach to the azaphenanthrene skeleton

  摘要：

  The intramolecular Friedel-Crafts type cyclization of several heterocycles prepared from 4-amino-1-azabutadienes leading to the preparation of several azaphenanthrene and azasteroid structures, using phosphoric or trifluoromethanesulfonic acid, is described. The reactions are carried out under mild conditions, and good yields are obtained. In some cases, such as the cyclization of thiazine 5, the reaction is totally regioselective.

  DOI：

  10.1021/jo00055a025

文献信息

• Intramolecular Friedel-Crafts cyclization of nitrogen heterocycles. An expeditious approach to the azaphenanthrene skeleton
  作者：Jose Barluenga、Miguel Tomas、Angel Suarez-Sobrino、Eduardo Rubio

  DOI：10.1021/jo00055a025

  日期：1993.1

  The intramolecular Friedel-Crafts type cyclization of several heterocycles prepared from 4-amino-1-azabutadienes leading to the preparation of several azaphenanthrene and azasteroid structures, using phosphoric or trifluoromethanesulfonic acid, is described. The reactions are carried out under mild conditions, and good yields are obtained. In some cases, such as the cyclization of thiazine 5, the reaction is totally regioselective.