2,5-dimethoxy-6-nitro-hippuric acid ethyl ester | 465532-32-5

• 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: 2,5-dimethoxy-6-nitro-hippuric acid ethyl ester
• 英文别名: Ethyl 2-[(3,6-dimethoxy-2-nitrobenzoyl)amino]acetate
• CAS: 465532-32-5
• 化学式: C₁₃H₁₆N₂O₇
• 分子量: 312.279
• InChiKey: ZOUAPXVOJNDVQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  120
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2,5-dimethoxy-6-nitro-hippuric acid ethyl ester 在 氢氧化钾 、 copper diacetate 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 6.0h， 生成 N-(acetoxymethyl)-6-nitro-2,5-dimethoxybenzamide
  参考文献：
  名称：

  SYNTHESIS OFN-(MORPHOLINOMETHYL) BENZAMIDES AS MOCLOBEMIDE ANALOGS

  摘要：

  Syntheses of new morpholinomethylbenzamides 6 bearing both electron-withdrawing and electron-releasing groups at the aromatic ring are described. The strategy involved synthesis of hippuric acid ethyl esters 3, their hydrolysis to hippuric acids 4, subsequent oxidative decarboxylation to acetate 5 and morpholine addition to provide 6.

  DOI：

  10.1081/scc-120003642
• 作为产物：
  描述：

  3,6-dimethoxy-2-nitrobenzoyl chloride 、 甘氨酸乙酯盐酸盐 以 四氢呋喃 为溶剂， 反应 3.0h， 以79%的产率得到2,5-dimethoxy-6-nitro-hippuric acid ethyl ester
  参考文献：
  名称：

  SYNTHESIS OFN-(MORPHOLINOMETHYL) BENZAMIDES AS MOCLOBEMIDE ANALOGS

  摘要：

  Syntheses of new morpholinomethylbenzamides 6 bearing both electron-withdrawing and electron-releasing groups at the aromatic ring are described. The strategy involved synthesis of hippuric acid ethyl esters 3, their hydrolysis to hippuric acids 4, subsequent oxidative decarboxylation to acetate 5 and morpholine addition to provide 6.

  DOI：

  10.1081/scc-120003642

文献信息

• SYNTHESIS OF<i>N</i>-(MORPHOLINOMETHYL) BENZAMIDES AS MOCLOBEMIDE ANALOGS
  作者：Hernán Pessoa-Mahana、Claudio I. Astudillo O.、R. Araya-Maturana

  DOI：10.1081/scc-120003642

  日期：2002.1

  Syntheses of new morpholinomethylbenzamides 6 bearing both electron-withdrawing and electron-releasing groups at the aromatic ring are described. The strategy involved synthesis of hippuric acid ethyl esters 3, their hydrolysis to hippuric acids 4, subsequent oxidative decarboxylation to acetate 5 and morpholine addition to provide 6.