N-(p-tolyl)-2-(2,4-dioxo-3-ethyl-3,4-dihydroquinazolin-1(2H)-yl)acetamide | 878994-43-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: N-(p-tolyl)-2-(2,4-dioxo-3-ethyl-3,4-dihydroquinazolin-1(2H)-yl)acetamide
• 英文别名: 2-(3-Ethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-YL)-N-(4-methylphenyl)acetamide；2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(4-methylphenyl)acetamide
• CAS: 878994-43-5
• 化学式: C₁₉H₁₉N₃O₃
• mdl: MFCD07469747
• 分子量: 337.378
• InChiKey: GNSOZMBZYCNYLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  69.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-乙基-2,4(1H,3H)-喹唑啉二酮 、 2-氯-N-(4-甲基苯基)乙酰胺 在 sodium methylate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.17h， 以79%的产率得到N-(p-tolyl)-2-(2,4-dioxo-3-ethyl-3,4-dihydroquinazolin-1(2H)-yl)acetamide
  参考文献：
  名称：

  3-aryl(alkyl)quinazoline-2,4(1H,3H)-diones and their alkyl derivatives

  摘要：

  Two-stage reaction of methyl anthranilate with aryl(alkyl) isocyanates in keeping with the quantum-chemical calculations and XRD analysis resulted in 3-aryl(alkyl) quinazoline-2,4(1H,3H)-diones that by treatment with alkyl halides, phenacyl bromides, esters and amides of chloroacetic acid were converted into the corresponding 1-alkyl derivatives.

  DOI：

  10.1134/s1070428009110190

文献信息

• 3-aryl(alkyl)quinazoline-2,4(1H,3H)-diones and their alkyl derivatives
  作者：A. S. Shestakov、O. E. Sidorenko、I. S. Bushmarinov、Kh. S. Shikhaliev、M. Yu. Antipin

  DOI：10.1134/s1070428009110190

  日期：2009.11

  Two-stage reaction of methyl anthranilate with aryl(alkyl) isocyanates in keeping with the quantum-chemical calculations and XRD analysis resulted in 3-aryl(alkyl) quinazoline-2,4(1H,3H)-diones that by treatment with alkyl halides, phenacyl bromides, esters and amides of chloroacetic acid were converted into the corresponding 1-alkyl derivatives.