2-氯-4-(二苄基氨基)苯甲醛 | 89115-16-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氯-4-(二苄基氨基)苯甲醛
• 英文名称: 2-Chloro-4-(dibenzylamino)benzaldehyde
• CAS: 89115-16-2
• 化学式: C₂₁H₁₈ClNO
• 分子量: 335.833
• InChiKey: YBMRWVHDUVOFHT-UHFFFAOYSA-N

物化性质

• 熔点：
  113-114 °C(Solv: ethanol (64-17-5); N,N-dimethylformamide (68-12-2))
• 沸点：
  516.5±50.0 °C(Predicted)
• 密度：
  1.232±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-氯-4-(二苄基氨基)苯甲醛 在 palladium on activated charcoal 乙酸铵 、 盐酸 、 lithium aluminium tetrahydride 、 氢气 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 为溶剂， 反应 7.0h， 生成 4-Amino-2-chloro-amphetamine
  参考文献：
  名称：

  Selective monoamine oxidase inhibitors. 4. 4-Aminophenethylamine derivatives with neuron-selective action

  摘要：

  Nine 4-aminophenethylamine derivatives were synthesized and tested for monoamine oxidase (MAO) inhibitory effects with particular attention to their selectivity for MAO within monoaminergic neurons in the rat brain. All compounds selectively inhibited the A form of MAO in vitro. Some of the compounds inhibited the MAO within the monoaminergic neurons at much lower doses than those required for inhibition of MAO within other cells in vivo. The most potent compounds in this respect were 4-amino-2-fluoro-alpha-methylphenethylamine (5) and 4-amino-2-chloro-alpha-methylphenethylamine (4).

  DOI：

  10.1021/jm00161a020
• 作为产物：
  描述：

  3-氯苯胺 在 potassium carbonate 、 potassium iodide 、 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 2-氯-4-(二苄基氨基)苯甲醛
  参考文献：
  名称：

  Selective monoamine oxidase inhibitors. 4. 4-Aminophenethylamine derivatives with neuron-selective action

  摘要：

  Nine 4-aminophenethylamine derivatives were synthesized and tested for monoamine oxidase (MAO) inhibitory effects with particular attention to their selectivity for MAO within monoaminergic neurons in the rat brain. All compounds selectively inhibited the A form of MAO in vitro. Some of the compounds inhibited the MAO within the monoaminergic neurons at much lower doses than those required for inhibition of MAO within other cells in vivo. The most potent compounds in this respect were 4-amino-2-fluoro-alpha-methylphenethylamine (5) and 4-amino-2-chloro-alpha-methylphenethylamine (4).

  DOI：

  10.1021/jm00161a020

文献信息

• New nitromethyl ketones, process for preparing them and compositions containing them
  申请人：Merck Patent GmbH

  公开号：US20030171422A1

  公开（公告）日：2003-09-11

  The present invention relates to the compounds of formula: 1 in which R 1 , R 2 , R 3 , E, A, X, Z, p and n are as defined herein. These compounds are aldose reductase inhibitors.

  本发明涉及公式1中的化合物：其中R1，R2，R3，E，A，X，Z，p和n的定义如本文所述。这些化合物是醛糖还原酶抑制剂。
• NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM
  申请人：——

  公开号：US20030069312A1

  公开（公告）日：2003-04-10

  The present invention relates to the compounds of formula: 1 in which R 1 , R 2 , R 3 , E, A, X, Z, p and n are as defined herein. These compounds are aldose reductase inhibitors.

  本发明涉及以下式子的化合物：1式中R1、R2、R3、E、A、X、Z、p和n的定义如本文所述。这些化合物是醛糖还原酶抑制剂。
• FLORVALL L.; FAGERVALL I.; ASK A. -L.; ROSS S. B., J. MED. CHEM., 29,(1986) N 11, 2250-2256
  作者：FLORVALL L.、 FAGERVALL I.、 ASK A. -L.、 ROSS S. B.

  DOI：——

  日期：——
• NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM
  申请人：MERCK PATENT GmbH

  公开号：EP0983226A1

  公开（公告）日：2000-03-08
• US6043281A
  申请人：——

  公开号：US6043281A

  公开（公告）日：2000-03-28