1-phenyl-5-(2,4-dimethoxybenzyl)barbituric acid

• 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-phenyl-5-(2,4-dimethoxybenzyl)barbituric acid
• 英文别名: 5-[(2,4-Dimethoxyphenyl)methyl]-1-phenyl-hexahydropyrimidine-2,4,6-trione；5-[(2,4-dimethoxyphenyl)methyl]-1-phenyl-1,3-diazinane-2,4,6-trione
• 化学式: C₁₉H₁₈N₂O₅
• 分子量: 354.362
• InChiKey: IGZSZQWMLQSWMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  84.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 cytisine 、 1-phenyl-5-(2,4-dimethoxybenzyl)barbituric acid 在 溶剂黄146 作用下， 以 水 为溶剂， 反应 24.0h， 以63%的产率得到1-phenyl-5-(2,4-dimethoxybenzyl)-5-cytisylmethylbarbituric acid
  参考文献：
  名称：

  Chemical modification of plant alkaloids. I. Aminomethylation of barbituric acid derivatives by cytisine

  摘要：

  Reaction of cytisine with 1-mono- and 1,3-disubstituted 5-arylmethylbarbituric acids in the presence of formaldehyde results in aminomethylation of C-5 to form the corresponding 5-cytisylmethylbarbituric acids. The structures of the products are found using PMR spectroscopy mid mass spectrometry. 1-Phenyl-5-(2,4-dimethoxybenzyl)-5-cytisylmethylbarbituric acid is obtained as a mixture of two steroisomers in an approximately 2:1 ratio.

  DOI：

  10.1007/bf02236429
• 作为产物：
  描述：

  1-phenyl-5-(2,4-dimethoxybenzylidene)barbituric acid 在 sodium tetrahydroborate 作用下， 以 水 、 异丙醇 为溶剂， 反应 0.33h， 以55%的产率得到1-phenyl-5-(2,4-dimethoxybenzyl)barbituric acid
  参考文献：
  名称：

  Chemical modification of plant alkaloids. I. Aminomethylation of barbituric acid derivatives by cytisine

  摘要：

  Reaction of cytisine with 1-mono- and 1,3-disubstituted 5-arylmethylbarbituric acids in the presence of formaldehyde results in aminomethylation of C-5 to form the corresponding 5-cytisylmethylbarbituric acids. The structures of the products are found using PMR spectroscopy mid mass spectrometry. 1-Phenyl-5-(2,4-dimethoxybenzyl)-5-cytisylmethylbarbituric acid is obtained as a mixture of two steroisomers in an approximately 2:1 ratio.

  DOI：

  10.1007/bf02236429

文献信息

• Chemical modification of plant alkaloids. I. Aminomethylation of barbituric acid derivatives by cytisine
  作者：K. A. Krasnov、V. G. Kartsev、A. S. Gorovoi

  DOI：10.1007/bf02236429

  日期：2000.3

  Reaction of cytisine with 1-mono- and 1,3-disubstituted 5-arylmethylbarbituric acids in the presence of formaldehyde results in aminomethylation of C-5 to form the corresponding 5-cytisylmethylbarbituric acids. The structures of the products are found using PMR spectroscopy mid mass spectrometry. 1-Phenyl-5-(2,4-dimethoxybenzyl)-5-cytisylmethylbarbituric acid is obtained as a mixture of two steroisomers in an approximately 2:1 ratio.