5-[5-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)-4-phenyl-1,4-dihydropyridine-3-carbonyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione | 1621993-09-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-[5-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)-4-phenyl-1,4-dihydropyridine-3-carbonyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
• 英文别名: 5-[5-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)-4-phenyl-1,4-dihydropyridine-3-carbonyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
• CAS: 1621993-09-6
• 化学式: C₂₅H₂₃N₅O₈
• 分子量: 521.486
• InChiKey: UOEAILDQLBSEQJ-UHFFFAOYSA-N

物化性质

• 沸点：
  718.6±70.0 °C(predicted)
• 密度：
  1.448±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  162
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  (E)-5-(3-(dimethylamino)acryloyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione 、 苯甲醛 在 ammonium acetate 作用下， 以 水 为溶剂， 反应 0.75h， 以90%的产率得到5-[5-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)-4-phenyl-1,4-dihydropyridine-3-carbonyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
  参考文献：
  名称：

  Mesoporous alumina sulphuric acid: A novel and efficient catalyst for on-water synthesis of functionalized 1,4-dihydropyridine derivatives via β-enaminones

  摘要：

  A simple, efficient and environmentally benign on-water protocol for the synthesis of novel 1,4-dihydropyridine derivatives via pseudo four component addition and cyclization sequence using mesoporous alumina sulphuric acid as a recyclable and heterogeneous catalyst, has been described. The catalyst showed excellent catalytic activity giving products in high yields and could be reused for seven successive catalytic cycles. The catalyst was characterized by FT-IR, XRD, FE-SEM, EDX and TG analyses. The mesoporosity of alumina was determined by BET and TEM analyses. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2014.07.015

文献信息

• Mesoporous alumina sulphuric acid: A novel and efficient catalyst for on-water synthesis of functionalized 1,4-dihydropyridine derivatives via β-enaminones
  作者：Nayeem Ahmed、Zeba N. Siddiqui

  DOI：10.1016/j.molcata.2014.07.015

  日期：2014.11

  A simple, efficient and environmentally benign on-water protocol for the synthesis of novel 1,4-dihydropyridine derivatives via pseudo four component addition and cyclization sequence using mesoporous alumina sulphuric acid as a recyclable and heterogeneous catalyst, has been described. The catalyst showed excellent catalytic activity giving products in high yields and could be reused for seven successive catalytic cycles. The catalyst was characterized by FT-IR, XRD, FE-SEM, EDX and TG analyses. The mesoporosity of alumina was determined by BET and TEM analyses. (C) 2014 Elsevier B.V. All rights reserved.