2,6-Dimethyl-4-(2-oxo-2H-chromen-8-yl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester | 212515-92-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 2,6-Dimethyl-4-(2-oxo-2H-chromen-8-yl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
• CAS: 212515-92-9
• 化学式: C₂₀H₁₉NO₆
• 分子量: 369.374
• InChiKey: XYXALULKULUJDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.37
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  94.84
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  2,6-Dimethyl-4-(2-oxo-2H-chromen-8-yl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester 在 吡啶 、 pyridinium hydrobromide perbromide 作用下， 以 氯仿 为溶剂， 以10%的产率得到
  参考文献：
  名称：

  Coumarin 1,4-Dihydropyridine Derivatives

  摘要：

  A series of 1,4-dihydropyridines bearing a coumarin moiety in 4-position was synthesized. The compounds were evaluated for inotropic, chronotropic and calcium antagonist activities. The replacement of the o-nitrophenyl moiety of nifedipine with a coumarin or phenylcoumarin system is accompained by a decrease of the activity on myocardial and vascular parameters, but the synthesized compounds showed selective inhibiting effects on cardiac contractility and frequency. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00037-6
• 作为产物：
  描述：

  8-methylcoumarin 在 盐酸 、 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 、 乌洛托品 、 氨 作用下， 以 四氯化碳 、 异丙醇 为溶剂， 反应 38.25h， 生成 2,6-Dimethyl-4-(2-oxo-2H-chromen-8-yl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
  参考文献：
  名称：

  Coumarin 1,4-Dihydropyridine Derivatives

  摘要：

  A series of 1,4-dihydropyridines bearing a coumarin moiety in 4-position was synthesized. The compounds were evaluated for inotropic, chronotropic and calcium antagonist activities. The replacement of the o-nitrophenyl moiety of nifedipine with a coumarin or phenylcoumarin system is accompained by a decrease of the activity on myocardial and vascular parameters, but the synthesized compounds showed selective inhibiting effects on cardiac contractility and frequency. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00037-6