N-[3-(4-chlorophenyl)sulfanyl-5-(diethylaminomethyl)-4-hydroxyphenyl]acetamide | 107244-67-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: N-[3-(4-chlorophenyl)sulfanyl-5-(diethylaminomethyl)-4-hydroxyphenyl]acetamide
• CAS: 107244-67-7
• 化学式: C₁₉H₂₃ClN₂O₂S
• 分子量: 378.923
• InChiKey: NSCIYDUMCKDARI-UHFFFAOYSA-N

物化性质

• 熔点：
  97-105 °C
• 沸点：
  546.9±50.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.0
• 重原子数：
  25.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  52.57
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-[3-(4-chlorophenyl)sulfanyl-5-(diethylaminomethyl)-4-hydroxyphenyl]acetamide 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 4-(7-Chloro-1-oxy-quinolin-4-ylamino)-2-(4-chloro-phenylsulfanyl)-6-diethylaminomethyl-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
• 作为产物：
  描述：

  2-<(4-chlorophenyl)thio>-4-nitrophenol 在 镍 氢气 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 为溶剂， 反应 54.0h， 生成 N-[3-(4-chlorophenyl)sulfanyl-5-(diethylaminomethyl)-4-hydroxyphenyl]acetamide
  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：——