1-Benzyl-5-(di-morpholin-4-yl-phosphanyl)-1,4-dihydro-pyridine-3-carbonitrile | 476436-56-3

• 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: 1-Benzyl-5-(di-morpholin-4-yl-phosphanyl)-1,4-dihydro-pyridine-3-carbonitrile
• 英文别名: 1-benzyl-5-dimorpholin-4-ylphosphanyl-4H-pyridine-3-carbonitrile
• CAS: 476436-56-3
• 化学式: C₂₁H₂₇N₄O₂P
• 分子量: 398.445
• InChiKey: UDVVPSAEKGFFSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  52
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-Benzyl-5-(di-morpholin-4-yl-phosphanyl)-1,4-dihydro-pyridine-3-carbonitrile 在 双氧水 作用下， 生成 1-benzyl-2-oxo-3-cyano-1,2-dihydro-5-pyridinylphosphinic acid, bismorpholide
  参考文献：
  名称：

  Electrophilic substitution as a convenient approach to functionalized N-benzyl-1,4-dihydropyridines

  摘要：

  The reactivity of 1-benzyl-3-cyano-1,4-dihydropyridine was studied in reactions with electrophilic reagents based on structural analogy of 1,4-dihydropyridines with enamines. Different 5-functionalized derivatives were obtained by direct electrophilic substitution. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01083-3
• 作为产物：
  描述：

  1-苄基-4H-吡啶-3-腈 在 三溴化磷 、 三乙胺 作用下， 以 苯 为溶剂， 反应 2.0h， 生成 1-Benzyl-5-(di-morpholin-4-yl-phosphanyl)-1,4-dihydro-pyridine-3-carbonitrile
  参考文献：
  名称：

  Electrophilic substitution as a convenient approach to functionalized N-benzyl-1,4-dihydropyridines

  摘要：

  The reactivity of 1-benzyl-3-cyano-1,4-dihydropyridine was studied in reactions with electrophilic reagents based on structural analogy of 1,4-dihydropyridines with enamines. Different 5-functionalized derivatives were obtained by direct electrophilic substitution. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01083-3