6-Carbamoyl-3-<2-<4-(2-methoxyphenyl)piperazin-1-yl>ethyl>-1-methyl-1H,3H-quinazoline-2,4-dione | 131068-16-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 6-Carbamoyl-3-<2-<4-(2-methoxyphenyl)piperazin-1-yl>ethyl>-1-methyl-1H,3H-quinazoline-2,4-dione
• 英文别名: 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
• CAS: 131068-16-1
• 化学式: C₂₃H₂₇N₅O₄
• 分子量: 437.498
• InChiKey: GQDOKMQIZNSGHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.63
• 重原子数：
  32.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  102.8
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  (1S,8R,9R)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-4,6-dioxo-11-oxa-3,5-diazatricyclo[6.2.1.02,7]undec-2(7)-ene-9-carbonitrile 、 (1R,8S,9R)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-4,6-dioxo-11-oxa-3,5-diazatricyclo[6.2.1.02,7]undec-2(7)-ene-9-carbonitrile 生成 6-Carbamoyl-3-<2-<4-(2-methoxyphenyl)piperazin-1-yl>ethyl>-1-methyl-1H,3H-quinazoline-2,4-dione
  参考文献：
  名称：

  MCNALLY, JAMES J.;PRESS, JEFFREY B., J. ORG. CHEM., 56,(1991) N, C. 245-251

  摘要：

  DOI：

文献信息

• Investigations into a mild Diels-Alder approach to 6-substituted quinazoline-2,4-dione derivatives
  作者：James J. McNally、Jeffery B. Press

  DOI：10.1021/jo00001a046

  日期：1991.1

  Furo[3,4-d]pyrimidine-2,4-dione (2) has been reacted with a number of dienophiles to give the Diels-Alder adducts such as 3 and 4 under very mild reaction conditions. Methyl acrylate gives only two regioisomeric endo products which have been isolated and characterized. Other dienophiles give mixtures of endo and exo products as well as of regioisomers. The product ratios were determined by high field H-1 NMR analysis. These adducts are dehydrated by treatment with acid to form some novel quinazoline-2,4-dione derivatives.