3-Acetoxy-4-(acetylamino)-5-aminobenzoic acid | 367519-92-4

• 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: 3-Acetoxy-4-(acetylamino)-5-aminobenzoic acid
• CAS: 367519-92-4
• 化学式: C₁₁H₁₂N₂O₅
• 分子量: 252.227
• InChiKey: WKEMROSGTRZJKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.85
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  118.72
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  氰胺 、 3-Acetoxy-4-(acetylamino)-5-aminobenzoic acid 在 盐酸 作用下， 反应 0.5h， 以67%的产率得到3-Acetoxy-4-(acetylamino)-5-guanidinobenzoic acid
  参考文献：
  名称：

  Aromatic sialic acid analogues as potential inhibitors of influenza virus neuraminidase

  摘要：

  The influenza virus neuraminidase (NA) is an enzyme essential for viral infection and offers a potential target for antiviral drug development. We aimed our research at the synthesis of non-carbohydrate molecules able to inhibit NA as transition-state analogues. Aromatic sialic acid analogues (compound 5 and compound 10) were synthesised in good yields starting from commercially available benzoic acids using a suitable synthetic strategy. (C) 2001 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01081-3
• 作为产物：
  描述：

  3-乙酰氧基-4-(乙酰氨基)苯甲酸 在 palladium on activated charcoal 硝酸 、 乙酸酐 、 肼 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 5.0h， 生成 3-Acetoxy-4-(acetylamino)-5-aminobenzoic acid
  参考文献：
  名称：

  Aromatic sialic acid analogues as potential inhibitors of influenza virus neuraminidase

  摘要：

  The influenza virus neuraminidase (NA) is an enzyme essential for viral infection and offers a potential target for antiviral drug development. We aimed our research at the synthesis of non-carbohydrate molecules able to inhibit NA as transition-state analogues. Aromatic sialic acid analogues (compound 5 and compound 10) were synthesised in good yields starting from commercially available benzoic acids using a suitable synthetic strategy. (C) 2001 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01081-3