1,3,1',3',1",3"-hexamethyl-[5,5':5',5"]terpyrimidine-2,4,6,2',4',6',2",4",6"-nonone | 64153-70-4

• 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: 1,3,1',3',1",3"-hexamethyl-[5,5':5',5"]terpyrimidine-2,4,6,2',4',6',2",4",6"-nonone
• 英文别名: 1,3,1',3',1'',3''-hexamethyl-[5,5';5',5'']terpyrimidine-2,4,6,2',4',6',2'',4'',6''-nonaone；5,5-Bis(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
• CAS: 64153-70-4
• 化学式: C₁₈H₂₀N₆O₉
• 分子量: 464.392
• InChiKey: LEZSPNGVAZDDDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.9
• 重原子数：
  33
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  173
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  1,3-二甲基巴比妥酸 在 盐酸 、 sodium iodide 作用下， 以 甲醇 、 水 为溶剂， 反应 1.0h， 生成 1,3,1',3',1",3"-hexamethyl-[5,5':5',5"]terpyrimidine-2,4,6,2',4',6',2",4",6"-nonone
  参考文献：
  名称：

  Electrocatalytic trimerization of N,N′-dialkylbarbituric acids: facile and efficient way to 2′H-5,5′:5′,5″-terpyrimidine-2,2′,2″,4,4′,4″,6,6′,6″-(1H,1′H,1″H,3H,3′H,3″H,5H,5″H)-nonone framework

  摘要：

  Electrocatalytic oxidation of N,N'-dialkylbarbituric acids with alkali metal halides as mediators leads to the selective and efficient formation of 2'H-5,5':5',5 ''-terpyrimidine-2,2',2 '',4,4',4 '',6,6',6 ''-(1H,1'H,1 '' H,3H,3'H,3 '' H,5H,5 '' H)-nonone frameworks in 50-90% yields as a result of the complex electrocatalytic cascade process. Barbiturates, among them condensed barbiturates such as 2'H-5,5':5',5 ''-terpyrimidine-2,2',2 '',4,4',4 '',6,6',6 ''-1H,1'H,1 '' H,3H,3'H,3 '' H,5H,5 '' H)-nonone frameworks are a perspective class of compounds with interesting pharmacological and physiological activity. The application of the effective electrocatalytic cascade method to the formation of medicinally relevant 2'H-5,5':5',5 ''-terpyrimidine-2,2',2 '',4,4',4 '',6,6',6 ''-(1H,1'H,1 '' H,3H,3'H,3 '' H,5H,5 '' H)-notione frameworks is also beneficial from the viewpoint of diversity-oriented large-scale processes and represents novel, facile and environmentally benign synthetic concept for electrocatalytic cascade reaction strategy. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2012.05.018

文献信息

• Electrocatalytic trimerization of N,N′-dialkylbarbituric acids: facile and efficient way to 2′H-5,5′:5′,5″-terpyrimidine-2,2′,2″,4,4′,4″,6,6′,6″-(1H,1′H,1″H,3H,3′H,3″H,5H,5″H)-nonone framework
  作者：Anatoly N. Vereshchagin、Michail N. Elinson、Evgeniya O. Dorofeeva、Ivan S. Bushmarinov、Sergey V. Gorbunov、Pavel A. Belyakov、Alexander O. Chizhov、Gennady I. Nikishin

  DOI：10.1016/j.molcata.2012.05.018

  日期：2012.11

  Electrocatalytic oxidation of N,N'-dialkylbarbituric acids with alkali metal halides as mediators leads to the selective and efficient formation of 2'H-5,5':5',5 ''-terpyrimidine-2,2',2 '',4,4',4 '',6,6',6 ''-(1H,1'H,1 '' H,3H,3'H,3 '' H,5H,5 '' H)-nonone frameworks in 50-90% yields as a result of the complex electrocatalytic cascade process. Barbiturates, among them condensed barbiturates such as 2'H-5,5':5',5 ''-terpyrimidine-2,2',2 '',4,4',4 '',6,6',6 ''-1H,1'H,1 '' H,3H,3'H,3 '' H,5H,5 '' H)-nonone frameworks are a perspective class of compounds with interesting pharmacological and physiological activity. The application of the effective electrocatalytic cascade method to the formation of medicinally relevant 2'H-5,5':5',5 ''-terpyrimidine-2,2',2 '',4,4',4 '',6,6',6 ''-(1H,1'H,1 '' H,3H,3'H,3 '' H,5H,5 '' H)-notione frameworks is also beneficial from the viewpoint of diversity-oriented large-scale processes and represents novel, facile and environmentally benign synthetic concept for electrocatalytic cascade reaction strategy. (C) 2012 Elsevier B.V. All rights reserved.