N-[3-tert-butyl-5-(diethylaminomethyl)-4-hydroxyphenyl]acetamide | 749168-68-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[3-tert-butyl-5-(diethylaminomethyl)-4-hydroxyphenyl]acetamide
• CAS: 749168-68-1
• 化学式: C₁₇H₂₈N₂O₂
• 分子量: 292.422
• InChiKey: FDWNZQLPSPGVRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.49
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  52.57
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-[3-tert-butyl-5-(diethylaminomethyl)-4-hydroxyphenyl]acetamide 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 2-tert-Butyl-4-(7-chloro-1-oxy-quinolin-4-ylamino)-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-叔丁基苯酚 在 镍 盐酸 、 氢气 、 sodium nitrite 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 为溶剂， 反应 59.0h， 生成 N-[3-tert-butyl-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