2-phenyl-4-(4-methylphenyl)-3,4,5,6-tetrahydrobenzoquinazoline | 148256-49-9

• 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: 2-phenyl-4-(4-methylphenyl)-3,4,5,6-tetrahydrobenzoquinazoline
• 英文别名: 2-Phenyl-4-(4-methylphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline；4-(4-methylphenyl)-2-phenyl-1,4,5,6-tetrahydrobenzo[h]quinazoline
• CAS: 148256-49-9
• 化学式: C₂₅H₂₂N₂
• 分子量: 350.463
• InChiKey: KLFJQJAKXREURO-UHFFFAOYSA-N

物化性质

• 沸点：
  579.2±50.0 °C(predicted)
• 密度：
  1.16±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-phenyl-4-(4-methylphenyl)-3,4,5,6-tetrahydrobenzoquinazoline 在 氢氧化钾 、 potassium hexacyanoferrate(III) 作用下， 以 水 、 苯 为溶剂， 以73%的产率得到2-phenyl-4-(4-methylphenyl)-5,6-dihydrobenzoquinazoline
  参考文献：
  名称：

  Synthesis and structure of 2-phenyl-4-aryl-3,4,5,6-tetrahydrobenzo[h]quinazolines

  摘要：

  The reaction of 2-arylidene-1-tetralones 1 with benzamidine gave 2-phenyl-4-aryl-3,4,5,6-tetrahydrobenzo[h]quinazolines 2. Investigations on the tautomeric equilibria of 2 by IR, H-1- and C-13-NMR showed the compounds to exist predominantly in the tautomeric form 2A both in the solid state and in solution. Acetylation and oxidation of the heterocyclic ring of 2 provided further evidence for the structural assignment of the title compounds.

  DOI：

  10.1007/bf00808676
• 作为产物：
  描述：

  (E)-2-(4-methylbenzylidene)-3,4-dihydro-2H-naphthalen-1-one 、 苯甲脒 以 乙醇 为溶剂， 反应 4.0h， 以87%的产率得到2-phenyl-4-(4-methylphenyl)-3,4,5,6-tetrahydrobenzoquinazoline
  参考文献：
  名称：

  Synthesis and structure of 2-phenyl-4-aryl-3,4,5,6-tetrahydrobenzo[h]quinazolines

  摘要：

  The reaction of 2-arylidene-1-tetralones 1 with benzamidine gave 2-phenyl-4-aryl-3,4,5,6-tetrahydrobenzo[h]quinazolines 2. Investigations on the tautomeric equilibria of 2 by IR, H-1- and C-13-NMR showed the compounds to exist predominantly in the tautomeric form 2A both in the solid state and in solution. Acetylation and oxidation of the heterocyclic ring of 2 provided further evidence for the structural assignment of the title compounds.

  DOI：

  10.1007/bf00808676

文献信息

• Perjesi Pal, Foeldesi Andras, Tamas Jozsef, Monatch. Chem., 124 (1993) N 2, S 167-175
  作者：Perjesi Pal, Foeldesi Andras, Tamas Jozsef

  DOI：——

  日期：——
• Synthesis and structure of 2-phenyl-4-aryl-3,4,5,6-tetrahydrobenzo[h]quinazolines
  作者：P�l Perj�si、Andr�s F�ldesi、J�zsef Tam�s

  DOI：10.1007/bf00808676

  日期：1993.2

  The reaction of 2-arylidene-1-tetralones 1 with benzamidine gave 2-phenyl-4-aryl-3,4,5,6-tetrahydrobenzo[h]quinazolines 2. Investigations on the tautomeric equilibria of 2 by IR, H-1- and C-13-NMR showed the compounds to exist predominantly in the tautomeric form 2A both in the solid state and in solution. Acetylation and oxidation of the heterocyclic ring of 2 provided further evidence for the structural assignment of the title compounds.