3-cyclohexyl-1-[2-oxo-2-(p-tolyl)ethyl]quinazoline-2,4(1H,3H)-dione | 895361-77-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-cyclohexyl-1-[2-oxo-2-(p-tolyl)ethyl]quinazoline-2,4(1H,3H)-dione
• 英文别名: 3-cyclohexyl-1-[2-(4-methylphenyl)-2-oxoethyl]quinazoline-2,4(1H,3H)-dione；3-cyclohexyl-1-[2-(4-methylphenyl)-2-oxoethyl]quinazoline-2,4-dione
• CAS: 895361-77-0
• 化学式: C₂₃H₂₄N₂O₃
• mdl: MFCD08076129
• 分子量: 376.455
• InChiKey: AIYCVZLHCIFLKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  57.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-cyclohexylquinazoline-2,4(1H,3H)-dione 、 对甲基-2-氯乙酰苯 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3-cyclohexyl-1-[2-oxo-2-(p-tolyl)ethyl]quinazoline-2,4(1H,3H)-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.