4-aminococaine

• 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: 4-aminococaine
• 英文别名: Methyl 3-(4-aminobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
• 化学式: C₁₇H₂₂N₂O₄
• 分子量: 318.373
• InChiKey: VGZIPEKHHWAZOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  81.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-aminococaine 在 tetramethylammonium dibromoiodate(I) 作用下， 反应 0.33h， 以92%的产率得到O-(4-amino-3-iodobenzoyl) ecgonine methyl ester
  参考文献：
  名称：

  Tetramethylammonium Dichloroiodate:  An Efficient and Environmentally Friendly Iodination Reagent for Iodination of Aromatic Compounds under Mild and Solvent-Free Conditions

  摘要：

  Tetramethylammonium dichloroiodate (1, TMADCI) as a mild and efficient iodination reagent was prepared. Iodination of different aromatic compounds with this reagent takes place fast and with high yields under solvent-free conditions.

  DOI：

  10.1021/jo0264628

文献信息

• Tetramethylammonium Dichloroiodate:  An Efficient and Environmentally Friendly Iodination Reagent for Iodination of Aromatic Compounds under Mild and Solvent-Free Conditions
  作者：Abdol R. Hajipour、Marty Arbabian、Arnold E. Ruoho

  DOI：10.1021/jo0264628

  日期：2002.11.1

  Tetramethylammonium dichloroiodate (1, TMADCI) as a mild and efficient iodination reagent was prepared. Iodination of different aromatic compounds with this reagent takes place fast and with high yields under solvent-free conditions.