3-methyl-2-methylmercapto-4-phenyl-3,4,5,6-tetrahydrobenzoquinazoline | 134408-35-8

• 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-methyl-2-methylmercapto-4-phenyl-3,4,5,6-tetrahydrobenzoquinazoline
• 英文别名: 3-Methyl-2-methylmercapto-4-phenyl-3,4,5,6-tetrahydrobenzo[h]quinazoline；3-methyl-2-methylsulfanyl-4-phenyl-5,6-dihydro-4H-benzo[h]quinazoline
• CAS: 134408-35-8
• 化学式: C₂₀H₂₀N₂S
• 分子量: 320.458
• InChiKey: GFKZLCALHAKENZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-(4-methoxybenzylidene)-1-tetralone 生成 3-methyl-2-methylmercapto-4-phenyl-3,4,5,6-tetrahydrobenzoquinazoline
  参考文献：
  名称：

  On the tautomerism of 2,4-disubstituted 3,4,5,6-tetrahydrobenzo[h]quinazolines

  摘要：

  The tautomerism of the title compounds was investigated by H-1, C-13-NMR and UV spectroscopy. Compound 5 was compared with respect to its spectra with those of appropriate model compounds 1,3,4, and 6. This gave evidence that 5 predominates in the tautomeric form 5A.

  DOI：

  10.1007/bf00809366

文献信息

• LORAND, TAMAS;FOLDESI, ANDRAS;ARADI, FERENC, MONATSH. CHEM., 122,(1991) N, C. 209-213
  作者：LORAND, TAMAS、FOLDESI, ANDRAS、ARADI, FERENC

  DOI：——

  日期：——
• On the tautomerism of 2,4-disubstituted 3,4,5,6-tetrahydrobenzo[h]quinazolines
  作者：Tam�s L�r�nd、Andr�s F�ldesi、Ferenc Aradi

  DOI：10.1007/bf00809366

  日期：1991.3

  The tautomerism of the title compounds was investigated by H-1, C-13-NMR and UV spectroscopy. Compound 5 was compared with respect to its spectra with those of appropriate model compounds 1,3,4, and 6. This gave evidence that 5 predominates in the tautomeric form 5A.