1,4-dihydro-2,6-dimethyl-3,5-bis<(isopropylamino)carbonyl>pyridine | 138571-04-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 1,4-dihydro-2,6-dimethyl-3,5-bis<(isopropylamino)carbonyl>pyridine
• 英文别名: 2,6-dimethyl-3-N,5-N-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide
• CAS: 138571-04-7
• 化学式: C₁₅H₂₅N₃O₂
• 分子量: 279.382
• InChiKey: BYBZDZBPWYCNCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.58
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  70.23
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  3-oxo-N-(propan-2-yl)butanamide 、 乌洛托品 在 ammonium acetate 作用下， 以 水 为溶剂， 反应 1.0h， 以77%的产率得到1,4-dihydro-2,6-dimethyl-3,5-bis<(isopropylamino)carbonyl>pyridine
  参考文献：
  名称：

  Reductions with NADH models. 3. The high reactivity of Hantzsch amides

  摘要：

  Aromatic ketones and aldehydes are rapidly reduced to alcohols by various 1,4-dihydropyridines, several of which can be considered to be a model of the coenzyme NADH. The reducing agents bear amide groups and are closely related to Hantzsch esters. They exhibit the highest reactivity among NADH models so far described. In some cases, the rate and completeness of reduction by Hantzsch amides compare favorably with those of reduction by the usually employed metal hydrides.

  DOI：

  10.1021/jo00032a035