hexaethyl 4,4',4'-(4,4',4'-(benzene-1,3,5-triyltris(methylene))tris(oxy)tris(benzene-4,1-diyl))tris(2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate) | 1335204-14-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: hexaethyl 4,4',4'-(4,4',4'-(benzene-1,3,5-triyltris(methylene))tris(oxy)tris(benzene-4,1-diyl))tris(2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate)
• 英文别名: Diethyl 4-[4-[[3,5-bis[[4-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate；diethyl 4-[4-[[3,5-bis[[4-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• CAS: 1335204-14-2
• 化学式: C₆₆H₇₅N₃O₁₅
• 分子量: 1150.33
• InChiKey: YNBAELZGUCYQBO-UHFFFAOYSA-N

物化性质

• 熔点：
  124-126 °C(Solvent: Ligroine; Ethyl acetate)
• 沸点：
  1077.1±65.0 °C(predicted)
• 密度：
  1.203±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.4
• 重原子数：
  84
• 可旋转键数：
  30
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  222
• 氢给体数：
  3
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  1,3,5-三(溴甲基)苯 、 4-(4-hydroxy-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 生成 hexaethyl 4,4',4'-(4,4',4'-(benzene-1,3,5-triyltris(methylene))tris(oxy)tris(benzene-4,1-diyl))tris(2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate)
  参考文献：
  名称：

  Ultrasound-promoted synthesis of bi-, tri- and tetrapodal polyhydroquinolines, 1,4-dihydropyridines and the corresponding pyridines

  摘要：

  双足、三足和四足聚羟基喹啉及1,4-二氢吡啶通过在超声条件下将多种烷基化试剂与聚羟基喹啉和1,4-二氢吡啶反应合成。这些产物随后利用超声波转化为相应的吡啶。超声波加快反应速度并提高产率。所有合成化合物均通过光谱数据进行表征。

  DOI：

  10.1039/c3ra45138k

文献信息

• Novel bipodal, tripodal, and tetrapodal 1,4-dihydropyridines — Microwave-assisted synthesis and structural confinements
  作者：Kancherla Rajesh、Bandapalli Palakshi Reddy、Vijayaparthasarathi Vijayakumar

  DOI：10.1139/v11-088

  日期：2011.10

  The one pot, three component reaction of p-hydroxy benzaldehyde, β-ketoester, and ammonium acetate afforded the corresponding monopodal 1,4-dihydropyridines as building blocks, which in turn converted into diversified novel bipodal, tripodal, and tetrapodal 1,4-dihydropyridines with different alkylating agents through conventional as well as microwave assisted reactions. The unambiguous structural

  对羟基苯甲醛、β-酮酯和乙酸铵的一锅三组分反应得到相应的单足1,4-二氢吡啶作为构建单元，进而转化为多样化的新型双足、三足和四足1,4-二氢吡啶与不同的烷化剂通过常规以及微波辅助反应。在 2D NMR（HH COZY 和 CH COSY）的帮助下，绘制了所有合成化合物的明确结构限制。
• Ultrasound-promoted synthesis of bi-, tri- and tetrapodal polyhydroquinolines, 1,4-dihydropyridines and the corresponding pyridines
  作者：G. L. Balaji、K. Rajesh、M. Venkatesh、S. Sarveswari、V. Vijayakumar

  DOI：10.1039/c3ra45138k

  日期：——

  Bi-, tri- and tetrapodal polyhydroquinolines and 1,4-dihydropyridines were synthesised by the reaction of various alkylating agents with polyhydroquinolines and 1,4-dihydropyridines under sonication conditions. These were in turn converted to the corresponding pyridines also using sonication. Sonication produced higher yields in a faster reaction time. All the synthesized compounds were characterized using spectral data.

  双足、三足和四足聚羟基喹啉及1,4-二氢吡啶通过在超声条件下将多种烷基化试剂与聚羟基喹啉和1,4-二氢吡啶反应合成。这些产物随后利用超声波转化为相应的吡啶。超声波加快反应速度并提高产率。所有合成化合物均通过光谱数据进行表征。