Diethyl 2-[(2-aminophenyl)methyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propanedioate | 307335-44-0

• 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: Diethyl 2-[(2-aminophenyl)methyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propanedioate
• CAS: 307335-44-0
• 化学式: C₂₅H₃₂ClN₃O₄
• 分子量: 474.0
• InChiKey: QWQDCRVIZKLHGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  33
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  85.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Diethyl 2-[(2-aminophenyl)methyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propanedioate 以 乙醇 为溶剂， 反应 4.0h， 以85%的产率得到Ethyl 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-1,4-dihydroquinoline-3-carboxylate
  参考文献：
  名称：

  Design, synthesis, and discovery of 3-piperazinyl-3,4-dihydro-2(1H)-quinolinone derivatives

  摘要：

  3-Piperazinyl-3,4-dihydro-2(1H)-quinolinone derivatives (delta-lactams) were designed, synthesized, and identified as a new series of mixed dopamine D-2/D-4 receptor antagonists. To further the structure-activity relationship (SAR) study, 3-piperazinylindolin-2-ones (gamma-lactams) and 3-piperazinyl-3H,4H,5H-benzo[f]azepin-2-ones (E-lactams) were also prepared and examined. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00421-2
• 作为产物：
  描述：

  1-(4-氯苄基)哌嗪 在 palladium on activated charcoal 氢气 、 sodium ethanolate 、 potassium carbonate 作用下， 以 乙醇 、 乙酸乙酯 、 乙腈 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 57.0h， 生成 Diethyl 2-[(2-aminophenyl)methyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propanedioate
  参考文献：
  名称：

  Design, synthesis, and discovery of 3-piperazinyl-3,4-dihydro-2(1H)-quinolinone derivatives

  摘要：

  3-Piperazinyl-3,4-dihydro-2(1H)-quinolinone derivatives (delta-lactams) were designed, synthesized, and identified as a new series of mixed dopamine D-2/D-4 receptor antagonists. To further the structure-activity relationship (SAR) study, 3-piperazinylindolin-2-ones (gamma-lactams) and 3-piperazinyl-3H,4H,5H-benzo[f]azepin-2-ones (E-lactams) were also prepared and examined. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00421-2