2-[[4-Chlorophenyl]thio]-4-[[7-chloro-4-quinolinyl]amino]-6-[[diethylamino]methyl]phenol | 107244-84-8

• 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: 2-[[4-Chlorophenyl]thio]-4-[[7-chloro-4-quinolinyl]amino]-6-[[diethylamino]methyl]phenol
• 英文别名: 2-(4-chlorophenyl)sulfanyl-4-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol
• CAS: 107244-84-8
• 化学式: C₂₆H₂₅Cl₂N₃OS
• 分子量: 498.476
• InChiKey: WBYWRCKFKLRPJI-UHFFFAOYSA-N

物化性质

• 熔点：
  180-183 °C
• 沸点：
  602.6±55.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  73.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (4-氯苯基硫)丙-2-酮 在 镍 盐酸 、 sodium hydroxide 、 氢气 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 为溶剂， 反应 56.5h， 生成 2-[[4-Chlorophenyl]thio]-4-[[7-chloro-4-quinolinyl]amino]-6-[[diethylamino]methyl]phenol
  参考文献：
  名称：

  Antimalarial drugs. 61. Synthesis and antimalarial effects of 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-6-alkylphenols and their N.omega.-oxides

  摘要：

  A series of 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-6-alkylphenols and their N omega-oxides were synthesized by the condensation of 4,7-dichloroquinoline and 4,7-dichloroquinoline N omega-oxide with appropriately substituted 4-amino-2-[(diethylamino)methyl]-6-alkylphenol dihydrochlorides. The latter precursors were prepared in a six-step synthesis starting from available 2-alkylphenols. Several of the title compounds display potent antimalarial activity in mice.

  DOI：

  10.1021/jm00388a027

文献信息

• KESTEN S. J.; JOHNSON J.; WERBEL L. M., J. MED. CHEM., 30,(1987) N 5, 906-911
  作者：KESTEN S. J.、 JOHNSON J.、 WERBEL L. M.

  DOI：——

  日期：——
• Antimalarial drugs. 61. Synthesis and antimalarial effects of 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-6-alkylphenols and their N.omega.-oxides
  作者：Stephen J. Kesten、Judith Johnson、Leslie M. Werbel

  DOI：10.1021/jm00388a027

  日期：1987.5

  A series of 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-6-alkylphenols and their N omega-oxides were synthesized by the condensation of 4,7-dichloroquinoline and 4,7-dichloroquinoline N omega-oxide with appropriately substituted 4-amino-2-[(diethylamino)methyl]-6-alkylphenol dihydrochlorides. The latter precursors were prepared in a six-step synthesis starting from available 2-alkylphenols. Several of the title compounds display potent antimalarial activity in mice.