1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-(4-chlorophenyl)quinazoline-2,4-dione | 925016-67-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-(4-chlorophenyl)quinazoline-2,4-dione
• 英文别名: 1-[2-(3,4-Dimethoxyphenyl)-2-oxoethyl]-3-(4-chlorophenyl)quinazoline-2,4(1h,3h)-dione；3-(4-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
• CAS: 925016-67-7
• 化学式: C₂₄H₁₉ClN₂O₅
• 分子量: 450.878
• InChiKey: PBVZJRJETLEZLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  76.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氯-1-(3,4-二甲氧基苯基)乙酮 、 3-(4-氯苯基)-1H-喹唑啉-2,4-二酮 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58%的产率得到1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-(4-chlorophenyl)quinazoline-2,4-dione
  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.