1,3-bis(4-methoxybenzyl)-5-(4-methylbenzylideneamino)pyrimidine-2,4(1H,3H)-dione | 1345675-93-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,3-bis(4-methoxybenzyl)-5-(4-methylbenzylideneamino)pyrimidine-2,4(1H,3H)-dione
• 英文别名: 1,3-Bis(4-methoxybenzyl)-5-(4-methylbenzylideneamino)pyrimidine-2,4(1h,3h)-dione；1,3-bis[(4-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylideneamino]pyrimidine-2,4-dione
• CAS: 1345675-93-5
• 化学式: C₂₈H₂₇N₃O₄
• 分子量: 469.54
• InChiKey: NPARRMZHNLQCDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  71.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,3-bis(4-methoxybenzyl)-5-(4-methylbenzylideneamino)pyrimidine-2,4(1H,3H)-dione 、 4-氯-苯甲腈N-氧化物 以 氯仿 为溶剂， 反应 5.0h， 以52%的产率得到1,3-bis(4-methoxybenzyl)-5-[3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazol-4(5H)-yl]pyrimidine-2,4(1H,3H)-dione
  参考文献：
  名称：

  Aldimines of 5-aminouracil as reagents in 1,3-dipolar cycloaddition reaction

  摘要：

  The condensation of 5-aminouracil with aromatic aldehydes gave the appropriate C-arylimines, which were used in [2+3] cycloaddition with nitrile oxides derived from 4-substituted benzaldoximes. As a result of the dipolar cycloaddition reaction several hitherto unknown 5-(3,5-diphenyl-1,2,4-oxadiazol-4(5H)-yl)pyrimidine-2,4(1H,3H)-diones have been obtained in satisfactory yields.

  DOI：

  10.1007/s00706-011-0616-1
• 作为产物：
  描述：

  对甲基苯甲醛 在 potassium carbonate 、 对甲苯磺酸 作用下， 以 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 36.5h， 生成 1,3-bis(4-methoxybenzyl)-5-(4-methylbenzylideneamino)pyrimidine-2,4(1H,3H)-dione
  参考文献：
  名称：

  Aldimines of 5-aminouracil as reagents in 1,3-dipolar cycloaddition reaction

  摘要：

  The condensation of 5-aminouracil with aromatic aldehydes gave the appropriate C-arylimines, which were used in [2+3] cycloaddition with nitrile oxides derived from 4-substituted benzaldoximes. As a result of the dipolar cycloaddition reaction several hitherto unknown 5-(3,5-diphenyl-1,2,4-oxadiazol-4(5H)-yl)pyrimidine-2,4(1H,3H)-diones have been obtained in satisfactory yields.

  DOI：

  10.1007/s00706-011-0616-1

文献信息

• Aldimines of 5-aminouracil as reagents in 1,3-dipolar cycloaddition reaction
  作者：Dominika Jakubiec、Krzysztof Z. Walczak

  DOI：10.1007/s00706-011-0616-1

  日期：2011.11

  The condensation of 5-aminouracil with aromatic aldehydes gave the appropriate C-arylimines, which were used in [2+3] cycloaddition with nitrile oxides derived from 4-substituted benzaldoximes. As a result of the dipolar cycloaddition reaction several hitherto unknown 5-(3,5-diphenyl-1,2,4-oxadiazol-4(5H)-yl)pyrimidine-2,4(1H,3H)-diones have been obtained in satisfactory yields.