1-allyl-6-bromo-3-cyclohexylquinazoline-2,4(1H,3H)-dione | 903190-74-9

• 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: 1-allyl-6-bromo-3-cyclohexylquinazoline-2,4(1H,3H)-dione
• 英文别名: 6-bromo-3-cyclohexyl-1-(prop-2-en-1-yl)quinazoline-2,4(1H,3H)-dione；6-bromo-3-cyclohexyl-1-prop-2-enylquinazoline-2,4-dione
• CAS: 903190-74-9
• 化学式: C₁₇H₁₉BrN₂O₂
• mdl: MFCD08131549
• 分子量: 363.254
• InChiKey: BZHZECZROCIZFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  6-bromo-3-cyclohexylquinazoline-2,4-dione 、 3-氯丙烯 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89%的产率得到1-allyl-6-bromo-3-cyclohexylquinazoline-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.